SCHEMBL719864

SCHEMBL719864

[CH2]c1occ2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 6/20 0.39
CYP2A6 P11509 5/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
HPRT1 P00492 1/20 0.36
CYP1A2 P05177 6/20 0.33
HPGD P15428 2/20 0.33
ALOX12 P18054 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
PARP1 P09874 2/20 0.32
CYP3A4 P08684 1/20 0.32
KEAP1 Q14145 1/20 0.32
POLB P06746 2/20 0.31
PTPN1 P18031 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL28471616 0.70 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL276956 0.70 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL1097671 0.70 CYP2A6 (0.42) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL4079696 0.70 CYP2A6 (0.42) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL286416 0.70 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL2008998 0.70 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL4897405 0.70 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL1605255 0.70 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL21179481 0.70 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL2012336 0.70 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948633-B1 3 -HYDROXYFLAVONE DERIVATIVES FOR THE DETECTION AND THE QUANTIFICATION OF CELL APOPTOSIS CENTRE NAT RECH SCIENT (FR) 2011-08-10 EP claimed
US-7880021-B2 reacting 6-bromomethyl-4'-(diethylamino)-3-hydroxyflavone with dodecylmethylamine to form the corresponding tertiary amine (4'-(diethylamino)-6-(dodecyl(methyl)aminomethyl)-3-hydroxyflavone); and reacting the product of step a. with propansultone; use in biomembrane studies; Alzheimer's disease, cancer CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-02-01 US claimed
US-20090269793-A1 Compounds and Kits for the Detection and the Quantification of Cell Apoptosis Centre National De La Recherche Scientifiique (CNRS) 2009-10-29 US claimed
JP-2009511566-A 2009-03-19 JP claimed
EP-1218383-B1 BICYCLIC IMIDAZO-5-YL-AMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2008-11-05 EP claimed
EP-1948633-A2 3 -HYDROXYFLAVONE DERIVATIVES FOR THE DETECTION AND THE QUANTIFICATION OF CELL APOPTOSIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2008-07-30 EP claimed
WO-2007057782-A2 3 -HYDROXYFLAVONE DERIVATIVES FOR THE DETECTION AND THE QUANTIFICATION OF CELL APOPTOSIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-05-24 WO claimed
US-7153873-B2 Salts of bicyclic, N-acylated imidazo-3-amines and imidazo-5-amines GRUENENTHAL GMBH (DE) 2006-12-26 US claimed
US-20060217378-A1 Salts of bicyclic, N-acylated imidazo-3-amines and imidazo-5-amines GRUENENTHAL GMBH (DE) 2006-09-28 US claimed
US-7087607-B2 Salts of bicyclic, N-acylated imidazo-3-amines and imidazo-5-amines GRUENENTHAL GMBH (DE) 2006-08-08 US claimed
CN-1065535-C Pyrazolopyrimidines and pyrrolopyrimidines for treatment of neuronal and other disorders PFIZER (US) 2001-05-09 CN claimed
WO-2001027119-A2 SUBSTANCE LIBRARY CONTAINING BICYCLIC IMIDAZO-5-YL-AMINES AND/OR BICYCLIC IMIDAZO-3-YL-AMINES Grünenthal GmbH (DE) 2001-04-19 WO claimed
WO-2001027118-A2 BICYCLIC IMIDAZO-5-YL-AMINE DERIVATIVES Grünenthal GmbH (DE) 2001-04-19 WO claimed
US-6117887-A ANTIPROLIFERATIVE AGENTS CV THERAPEUTICS, INC. (US) 2000-09-12 US claimed
US-5808162-A Chiral unsymmetric diphosphine compound and transition metal complex containing the same as ligand TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-09-15 US claimed
CN-1034175-C pyrazolopyrimidines PFIZER (US) 1997-03-05 CN claimed
CN-1141297-A Pyrazolopyrimidines and pyrrolopyrimidines for treatment of neuronal and other disorders PFIZER (US) 1997-01-29 CN claimed
EP-0754696-A1 Chiral unsymmetric diphosphine compounds and transition metal complexes containing them as ligands Takasago International Corporation (JP) 1997-01-22 EP claimed
CN-1094048-A Pyrazolopyrimidines PFIZER (US) 1994-10-26 CN claimed
US-4558038-A HYPOTENSIVE AGENTS USV PHARMACEUTICAL CORP. (US) 1985-12-10 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 (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-20060217378-A1 Salts of bicyclic, N-acylated imidazo-3-amines and imidazo-5-amines HNMT, GRIK5, OPRK1 ALDH1A1 394/4885HSD17B10 2101/4885CYP2A6 420/4885
US-20090269793-A1 Compounds and Kits for the Detection and the Quantification of Cell Apoptosis BAX, CASP3, BCL2 ALDH1A1 1876/4885HSD17B10 1409/4885CYP2A6 1217/4885

“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.