SCHEMBL385875

SCHEMBL385875

CSc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
CYP2A6 P11509 4/20 0.48
IFNAR1 P17181 1/20 0.47
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
TSHR P16473 3/20 0.46
HSD17B10 Q99714 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP1A2 P05177 5/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 1/20 0.42
KEAP1 Q14145 1/20 0.42
HPRT1 P00492 1/20 0.42
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL31323067 1.00 ALDH1A1 (0.48) ALDH1A1CYP2A6IFNAR1LMNAMAPK1
SCHEMBL31038169 1.00 ALDH1A1 (0.48) ALDH1A1CYP2A6IFNAR1LMNAMAPK1
SCHEMBL14252184 0.84 CYP1A2 (0.38) ALDH1A1CYP2A6LMNACYP1A2HPGD
SCHEMBL9018825 0.82 PTPN1 (0.42) ALDH1A1CYP2A6IFNAR1LMNATSHR
SCHEMBL6274087 0.81 ALDH1A1 (0.44) ALDH1A1CYP2A6IFNAR1LMNAMAPK1
SCHEMBL3698024 0.79 ALDH1A1 (0.41) ALDH1A1CYP2A6HSD17B10TDP1CYP1A2
SCHEMBL31167972 0.79 IFNAR1 (0.60) ALDH1A1CYP2A6IFNAR1LMNAMAPK1
SCHEMBL577858 0.79 IFNAR1 (0.60) ALDH1A1CYP2A6IFNAR1LMNAMAPK1
SCHEMBL253961 0.79 ALDH1A1 (0.50) ALDH1A1CYP2A6IFNAR1LMNAMAPK1
SCHEMBL30550559 0.79 ALDH1A1 (0.50) ALDH1A1CYP2A6IFNAR1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132156-B1 ALKYLAROMATIC LUBRICANT FLUIDS EXXONMOBIL RES & ENG CO (US) 2013-11-27 EP claimed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US claimed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US claimed
EP-2398760-A1 ALLOSTERIC BINDING COMPOUNDS Aarhus Universitet (DK) 2011-12-28 EP claimed
US-7981987-B2 Aromatic urethane acrylates having a high refractive index BAYER MATERIALSCIENCE AG (DE) 2011-07-19 US claimed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 WO claimed
EP-2137220-A1 AROMATIC URETHANE ACRYLATES HAVING A HIGH REFRACTIVE INDEX Bayer MaterialScience AG (DE) 2009-12-30 EP claimed
US-20080312403-A1 AROMATIC URETHANE ACRYLATES HAVING A HIGH REFRACTIVE INDEX BAYER MATERIALSCIENCE AG (DE) 2008-12-18 US claimed
WO-2008125199-A1 AROMATIC URETHANE ACRYLATES HAVING A HIGH REFRACTIVE INDEX BAYER MATERIALSCIENCE AG (DE) 2008-10-23 WO claimed
US-7192983-B2 Improving storage stability by reacting with hydrogen sulfate lithium- containing compound; aspartyl protease inhibitors G.D. SEARLE & CO. (US) 2007-03-20 US claimed
US-6147253-A STABILIZED FORM OF N-PROTECTED/N-SUBSTITUTED ALPHA-AMINO ALDEHYDES G. D. SEARLE & CO. (US) 2000-11-14 US claimed
US-6143747-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 2000-11-07 US claimed
EP-0861233-B1 N-PROTECTED/N-SUBSTITUTED-BETA-AMINO HYDROXY SULFONATES SEARLE & CO (US) 2000-05-03 EP claimed
US-5939587-A DEBLOCKING, DESALTING, DESULFONATING AND OXIDATING TO ALDEHYDE; STORAGE STABILITY, MATERIALS HANDLING G. D. SEARLE & COMPANY (US) 1999-08-17 US claimed
US-5847201-A N-protected/N-substituted-beta-amino hydroxy sulfonates G.D. SEARLE & CO. (US) 1998-12-08 US claimed
EP-0861233-A1 N-PROTECTED/N-SUBSTITUTED-BETA-AMINO HYDROXY SULFONATES G.D. SEARLE & CO. (US) 1998-09-02 EP claimed
EP-0804428-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP claimed
WO-1997018190-A1 N-PROTECTED/N-SUBSTITUTED-BETA-AMINO HYDROXY SULFONATES G.D. SEARLE & CO. (US) 1997-05-22 WO claimed
WO-1996022287-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-07-25 WO claimed
US-4427586-A ANTI-BACTERIAL AGENTS AND ENZYME INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-01-24 US claimed

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

For each of this compound's patents that has machine-readable text (3 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-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B ALDH1A1 3676/4885CYP2A6 990/4885IFNAR1 2195/4885
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B ALDH1A1 3676/4885CYP2A6 990/4885IFNAR1 2195/4885
US-20080312403-A1 AROMATIC URETHANE ACRYLATES HAVING A HIGH REFRACTIVE INDEX ACR, UTS2R, MUS81 ALDH1A1 188/4885CYP2A6 1147/4885IFNAR1 1774/4885

“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.