Sugi Predict

Sugi Predict / Compounds / SCHEMBL2630302

SCHEMBL2630302

SCHEMBL2630302

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.41
▸ MAPT P10636 6/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GLO1 Q04760 1/20 0.40
▸ HSD17B10 Q99714 3/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ RECQL P46063 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ PTGS1 P23219 1/20 0.36
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ LMNA P02545 2/20 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
SCHEMBL2616632 0.89 GLO1 (0.41) HCAR2NPSR1ALDH1A1MAPTTDP1
SCHEMBL2616649 0.89 PTGS1 (0.47) HCAR2NPSR1ALDH1A1MAPTTDP1
SCHEMBL2616638 0.88 GLO1 (0.48) NPSR1ALDH1A1MAPTKDM4EGLO1
SCHEMBL2616634 0.88 ALDH1A1 (0.47) HCAR2NPSR1ALDH1A1MAPTTDP1
SCHEMBL2616640 0.87 HCAR2 (0.57) HCAR2NPSR1ALDH1A1MAPTTDP1
SCHEMBL2616636 0.86 PTGS1 (0.49) HCAR2NPSR1ALDH1A1MAPTTDP1
SCHEMBL2616650 0.85 ALDH1A1 (0.45) HCAR2NPSR1ALDH1A1MAPTTDP1
SCHEMBL2616639 0.83 ALDH1A1 (0.56) HCAR2NPSR1ALDH1A1MAPTTDP1
SCHEMBL2630514 0.82 GLO1 (0.43) NPSR1ALDH1A1MAPTKDM4EGLO1
SCHEMBL14406059 0.82 GLO1 (0.43) NPSR1ALDH1A1MAPTTDP1KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120095099-A1 Trans carotenoids, their synthesis, formulation and uses DIFFUSION PHARMACEUTICALS LLC (US) 2012-04-19 — — US disclosed
US-8030350-B2 Trans carotenoids, their synthesis, formulation and uses DIFFUSION PHARMACEUTICALS LLC (US) 2011-10-04 — — US disclosed
US-8030350-B2 Trans carotenoids, their synthesis, formulation and uses DIFFUSION PHARMACEUTICALS LLC (US) 2011-10-04 — — 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 (2 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-20160199490-A1 TRANS CAROTENOIDS, THEIR SYNTHESIS, FORMULATION AND USES TTPA, RBP4, TXNRD2 HCAR2 3148/4885NPSR1 2238/4885ALDH1A1 3045/4885
US-20120095099-A1 Trans carotenoids, their synthesis, formulation and uses TTPA, RBP4, TXNRD2 HCAR2 3148/4885NPSR1 2238/4885ALDH1A1 3045/4885

“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.