Sugi Predict

Sugi Predict / Compounds / SCHEMBL2837829

SCHEMBL2837829

SCHEMBL2837829

CC1=C(C/C=C(C)/C=C/C=C(C)/C=C/C=C/C(C)=C/C=C/C(C)=C/CC2=C(C)CCCC2(C)C)C(C)(C)CCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.60
▸ MAPT P10636 7/20 0.60
▸ CYP3A4 P08684 6/20 0.60
▸ APP P05067 4/20 0.60
▸ SNCA P37840 4/20 0.60
▸ ALOX15 P16050 3/20 0.60
▸ MAPK1 P28482 3/20 0.60
▸ RBP4 P02753 3/20 0.60
▸ TSHR P16473 2/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ NR1I2 O75469 1/20 0.60
▸ USP2 O75604 1/20 0.60
▸ PTGS1 P23219 4/20 0.57
▸ SLCO1B3 Q9NPD5 2/20 0.57
▸ SLCO1B1 Q9Y6L6 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ DRD3 P35462 2/20 0.57
▸ TDP1 Q9NUW8 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53

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
SCHEMBL20659242 1.00 ALDH1A1 (0.60) ALDH1A1MAPTCYP3A4APPSNCA
SCHEMBL11783700 0.91 ALDH1A1 (0.53) ALDH1A1MAPTCYP3A4APPSNCA
SCHEMBL11648093 0.91 ALDH1A1 (0.53) ALDH1A1MAPTCYP3A4APPSNCA
SCHEMBL11779869 0.88 ALDH1A1 (0.53) ALDH1A1MAPTCYP3A4APPSNCA
SCHEMBL11779873 0.88 ALDH1A1 (0.53) ALDH1A1MAPTCYP3A4APPSNCA
SCHEMBL13979266 0.87 ALDH1A1 (0.49) ALDH1A1MAPTCYP3A4APPSNCA
SCHEMBL9187020 0.86 ALDH1A1 (0.49) ALDH1A1MAPTCYP3A4APPSNCA
SCHEMBL9182001 0.86 ALDH1A1 (0.49) ALDH1A1MAPTCYP3A4APPSNCA
SCHEMBL9209859 0.86 ALDH1A1 (0.49) ALDH1A1MAPTCYP3A4APPSNCA
SCHEMBL13978907 0.85 ALDH1A1 (0.47) ALDH1A1MAPTCYP3A4APPSNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019016384-A1 NOVEL ENZYME DSM IP ASSETS B.V. (NL) 2019-01-24 — — WO claimed
US-5413740-A Doped polysiloxane photochromic plastic; radiation protection TRUSTEE OF BOSTON UNIVERSITY (US) 1995-05-09 — — US claimed
WO-2019016384-A1 NOVEL ENZYME DSM IP ASSETS B.V. (NL) 2019-01-24 — — WO disclosed
EP-1866323-B1 GLUCURONIDATED NEBIVOLOL MYLAN LAB INC (US) 2017-05-31 — — EP disclosed
EP-1848424-B1 PHARMACEUTICAL COMPOSITION COMPRISING HYDROXYLATED NEBIVOLOL MYLAN LAB INC (US) 2017-04-05 — — EP disclosed
EP-2808015-A1 Compositions comprising nebivolol MYLAN LABORATORIES, INC (US) 2014-12-03 — — EP disclosed
US-20110065783-A1 HYDROXYLATED NEBIVOLOL METABOLITES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-03-17 — — US disclosed
US-7838552-B2 Compositions comprising nebivolol FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-23 — — US disclosed
US-7763649-B2 Carotenoid analogs or derivatives for controlling connexin 43 expression CARDAX PHARMACEUTICALS, INC. (US) 2010-07-27 — — US disclosed
US-7723327-B2 Carotenoid ester analogs or derivatives for the inhibition and amelioration of liver disease CARDAX PHARMACEUTICALS, INC. (US) 2010-05-25 — — US disclosed
EP-2174658-A1 Compositions comprising nebivolol MYLAN LABORATORIES, INC (US) 2010-04-14 — — EP disclosed
US-20050059635-A1 Carotenoid ester analogs or derivatives for controlling C-reactive protein levels CARDAX PHARMACEUTICALS, INC. 2005-03-17 — — US disclosed
US-20050059659-A1 Carotenoid analogs or derivatives for controlling C-reactive protein levels CARDAX PHARMACEUTICALS, INC. 2005-03-17 — — US disclosed
US-20050049248-A1 Carotenoid ether analogs or derivatives for controlling C-reactive protein levels CARDAX PHARMACEUTICALS, INC. 2005-03-03 — — US disclosed
US-20050037995-A1 Carotenoid ester analogs or derivatives for the inhibition and amelioration of ischemic reperfusion injury CARDAX PHARMA, INC. 2005-02-17 — — US disclosed
US-20050026874-A1 Carotenoid ether analogs or derivatives for the inhibition and amelioration of liver disease CARDAX PHARMACEUTICALS, INC. 2005-02-03 — — US disclosed
US-20050009930-A1 Carotenoid analogs or derivatives for controlling connexin 43 expression CARDAX PHARMA, INC. 2005-01-13 — — US disclosed
US-20050009788-A1 Carotenoid ester analogs or derivatives for controlling connexin 43 expression CARDAX PHARMACEUTICALS, INC. 2005-01-13 — — US disclosed
US-20050009758-A1 Carotenoid ether analogs or derivatives for the inhibition and amelioration of disease CARDAX PHARMA, INC. 2005-01-13 — — US disclosed
US-20050004235-A1 Carotenoid analogs or derivatives for the inhibition and amelioration of liver disease CARDAX PHARMACEUTICALS, INC. 2005-01-06 — — 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 (10 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-20050037995-A1 Carotenoid ester analogs or derivatives for the inhibition and amelioration of ischemic reperfusion injury CPT1A, TXNRD2, PC ALDH1A1 850/4885MAPT 4758/4885CYP3A4 761/4885
US-20050009788-A1 Carotenoid ester analogs or derivatives for controlling connexin 43 expression GJA1, GJB2, CRY1 ALDH1A1 1497/4885MAPT 4813/4885CYP3A4 410/4885
US-20050009930-A1 Carotenoid analogs or derivatives for controlling connexin 43 expression GJA1, GJB2, CRY1 ALDH1A1 1114/4885MAPT 4766/4885CYP3A4 599/4885
US-20050059635-A1 Carotenoid ester analogs or derivatives for controlling C-reactive protein levels TTPA, PROC, RBP4 ALDH1A1 3143/4885MAPT 3857/4885CYP3A4 253/4885
US-20050059659-A1 Carotenoid analogs or derivatives for controlling C-reactive protein levels RBP1, PROC, RBP4 ALDH1A1 2274/4885MAPT 3997/4885CYP3A4 598/4885
US-20050026874-A1 Carotenoid ether analogs or derivatives for the inhibition and amelioration of liver disease GYS2, HCCS, CPT1A ALDH1A1 1354/4885MAPT 3961/4885CYP3A4 177/4885
US-20050049248-A1 Carotenoid ether analogs or derivatives for controlling C-reactive protein levels PROC, TTPA, CYC1 ALDH1A1 3798/4885MAPT 4035/4885CYP3A4 188/4885
US-20110065783-A1 HYDROXYLATED NEBIVOLOL METABOLITES EDNRB, EDNRA, ADRB1 ALDH1A1 1391/4885MAPT 1406/4885CYP3A4 174/4885
US-20050009758-A1 Carotenoid ether analogs or derivatives for the inhibition and amelioration of disease NFE2L2, GPX4, CYP11B2 ALDH1A1 2470/4885MAPT 4360/4885CYP3A4 740/4885
US-20050004235-A1 Carotenoid analogs or derivatives for the inhibition and amelioration of liver disease GYS2, HCCS, CPT1A ALDH1A1 557/4885MAPT 3908/4885CYP3A4 376/4885

“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.