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Sugi Predict / Compounds / SCHEMBL5071853

SCHEMBL5071853

SCHEMBL5071853

CCOC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.55
▸ ALDH1A1 P00352 9/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ RECQL P46063 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ GLO1 Q04760 1/20 0.46
▸ MAPT P10636 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.37
▸ LMNA P02545 3/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5071854 1.00 PTGS1 (0.55) PTGS1ALDH1A1HSD17B10TDP1ALOX15
SCHEMBL5873600 0.93 PTGS1 (0.49) PTGS1ALDH1A1HSD17B10TDP1ALOX15
SCHEMBL8503596 0.93 PTGS1 (0.68) PTGS1ALDH1A1HSD17B10TDP1ALOX15
SCHEMBL8505049 0.93 PTGS1 (0.68) PTGS1ALDH1A1HSD17B10TDP1ALOX15
SCHEMBL2616646 0.93 PTGS1 (0.49) PTGS1ALDH1A1HSD17B10TDP1ALOX15
SCHEMBL2616636 0.93 PTGS1 (0.49) PTGS1ALDH1A1HSD17B10TDP1ALOX15
SCHEMBL2616629 0.92 PTGS1 (0.47) PTGS1ALDH1A1HSD17B10TDP1ALOX15
SCHEMBL2616634 0.92 ALDH1A1 (0.47) PTGS1ALDH1A1HSD17B10TDP1ALOX15
SCHEMBL26140466 0.92 PTGS1 (0.47) PTGS1ALDH1A1HSD17B10TDP1ALOX15
SCHEMBL9716795 0.89 PTGS1 (0.43) PTGS1ALDH1A1HSD17B10TDP1ALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081779-A1 CRYSTALLINE FORMS OF A DIFFUSION ENHANCING COMPOUND DIFFUSION PHARMACEUTICALS LLC (US) 2023-05-11 — — WO disclosed
US-20230134835-A1 METHODS OF SYNTHESIZING CAROTENOIDS L E A F HOLDINGS GROUP LLC (US) 2023-05-04 — — US disclosed
US-20230134835-A1 METHODS OF SYNTHESIZING CAROTENOIDS L E A F HOLDINGS GROUP LLC (US) 2023-05-04 — — US disclosed
US-20230134835-A1 METHODS OF SYNTHESIZING CAROTENOIDS L E A F HOLDINGS GROUP LLC (US) 2023-05-04 — — US disclosed
EP-1879902-B1 COMPOSITION COMPRISING ONE OR MORE LYCOPHYLL DERIVATIVES CARDAX PHARMA INC (US) 2020-01-08 — — EP disclosed
EP-1879902-B1 COMPOSITION COMPRISING ONE OR MORE LYCOPHYLL DERIVATIVES CARDAX PHARMA INC (US) 2020-01-08 — — EP disclosed
US-9950067-B2 Trans carotenoids, their synthesis, formulation and uses Diffusion Pharmaceuticals, LLC (US) 2018-04-24 — — US disclosed
US-20160199490-A1 TRANS CAROTENOIDS, THEIR SYNTHESIS, FORMULATION AND USES Diffusion Pharmaceuticals, LLC 2016-07-14 — — US disclosed
EP-2540696-A1 Trans carotenoids, their synthesis, formulation and uses Diffusion Pharmaceuticals LLC (US) 2013-01-02 — — EP disclosed
US-8030350-B2 Trans carotenoids, their synthesis, formulation and uses DIFFUSION PHARMACEUTICALS LLC (US) 2011-10-04 — — US disclosed
US-7247752-B2 Stereoselectively reducing 2,6,6-trimethyl-2-cyclohexene-1,4-dione with an optically active chiral catalyst to form an optically active hydroxycyclohexenone, contacting the product with a reducing agent to form an optically active diol, and using the diol to form astaxanthin CARDAX PHARMACEUTICALS, INC. (US) 2007-07-24 — — US disclosed
US-20060293545-A1 carotenes or xanthophylls, used as free radical scavengers; cytoprotective agents; oxidation resistance CARDAX PHARMA, INC. 2006-12-28 — — US disclosed
US-20060183947-A1 Stereoselectively reducing 2,6,6-trimethyl-2-cyclohexene-1,4-dione with an optically active chiral catalyst to form an optically active hydroxycyclohexenone, contacting the product with a reducing agent to form an optically active diol, and using the diol to form astaxanthin CARDAX PHARMA, INC. 2006-08-17 — — US disclosed
US-20060183185-A1 Method for the synthesis of astaxanthin CARDAX PHARMACEUTICALS, INC. 2006-08-17 — — US disclosed
US-20060178538-A1 Methods for the synthesis of chiral dihydroxy intermediates useful for the chiral synthesis of carotenoids CARDAX PHARMACEUTICALS, INC. 2006-08-10 — — US disclosed
US-20060167319-A1 Methods for the synthesis of unsaturated ketone intermediates useful for the synthesis of carotenoids CARDAX PHARMACEUTICALS, INC. 2006-07-27 — — US disclosed
US-20060155150-A1 Methods for the synthesis of lutein CARDAX PHARMACEUTICALS, INC. 2006-07-13 — — US disclosed
US-20060111580-A1 Methods for the synthesis of chiral dihydroxy ketone intermediates useful for the chiral synthesis of carotenoids CARDAX PHARMACEUTICALS, INC. 2006-05-25 — — US disclosed
US-20060088905-A1 Methods for the synthesis of zeazanthin CARDAX PHARMACEUTICALS, INC. 2006-04-27 — — US disclosed
US-20060088904-A1 Methods for the synthesis of astaxanthin CARDAX PHARMACEUTICALS, INC. 2006-04-27 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060088904-A1 Methods for the synthesis of astaxanthin HSD17B7, CYP51A1, HSD11B1 PTGS1 1039/4885ALDH1A1 287/4885HSD17B10 25/4885
US-20060293545-A1 carotenes or xanthophylls, used as free radical scavengers; cytoprotective agents; oxidation resistance TXNRD2, TXN2, TXNRD1 PTGS1 71/4885ALDH1A1 2064/4885HSD17B10 753/4885
US-20160199490-A1 TRANS CAROTENOIDS, THEIR SYNTHESIS, FORMULATION AND USES TTPA, RBP4, TXNRD2 PTGS1 1001/4885ALDH1A1 3045/4885HSD17B10 387/4885
US-20060178538-A1 Methods for the synthesis of chiral dihydroxy intermediates useful for the chiral synthesis of carotenoids HSD17B7, DHPS, DHCR7 PTGS1 774/4885ALDH1A1 327/4885HSD17B10 38/4885
US-20060167319-A1 Methods for the synthesis of unsaturated ketone intermediates useful for the synthesis of carotenoids DHPS, HSD17B7, COASY PTGS1 649/4885ALDH1A1 436/4885HSD17B10 40/4885
US-20060155150-A1 Methods for the synthesis of lutein LSS, DHPS, CYP51A1 PTGS1 854/4885ALDH1A1 442/4885HSD17B10 37/4885
US-20060183947-A1 Stereoselectively reducing 2,6,6-trimethyl-2-cyclohexene-1,4-dione with an optically active chiral catalyst to form an optically active hydroxycyclohexenone, contacting the product with a reducing agent to form an optically active diol, and using the diol to form astaxanthin DHCR7, HSD17B7, HSD11B1 PTGS1 900/4885ALDH1A1 242/4885HSD17B10 31/4885
US-20060088905-A1 Methods for the synthesis of zeazanthin DHPS, CYP51A1, HSD17B7 PTGS1 1263/4885ALDH1A1 667/4885HSD17B10 37/4885
US-20060111580-A1 Methods for the synthesis of chiral dihydroxy ketone intermediates useful for the chiral synthesis of carotenoids DHPS, DHCR7, HSD17B7 PTGS1 1649/4885ALDH1A1 374/4885HSD17B10 30/4885
US-20060183185-A1 Method for the synthesis of astaxanthin SQLE, HSD17B7, CYP51A1 PTGS1 548/4885ALDH1A1 377/4885HSD17B10 34/4885
US-20230134835-A1 METHODS OF SYNTHESIZING CAROTENOIDS HCCS, GYS2, GYS1 PTGS1 606/4885ALDH1A1 2479/4885HSD17B10 317/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.