SCHEMBL1283153

SCHEMBL1283153

CC=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 2/20 0.50
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
ALOX15 P16050 1/20 0.46
CYP3A4 P08684 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTGS2 P35354 1/20 0.46
LMNA P02545 2/20 0.44
CYP2A6 P11509 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
SRD5A2 P31213 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
SCHEMBL14199949 0.91 CES2 (0.56) BCL2L1CES2CES1TSHRALOX15
SCHEMBL10685731 0.87 MAOB (0.48) BCL2L1TSHRCYP3A4MAPTHPGD
SCHEMBL16559384 0.83 PARP1 (0.46) BCL2L1CES2CES1TSHRPTGS2
SCHEMBL1283151 0.78 CES2 (0.48) BCL2L1CES2CES1TSHRMAPK1
SCHEMBL8064556 0.78 CES2 (0.48) BCL2L1CES2CES1TSHRMAPK1
SCHEMBL2093404 0.76 TSHR (0.50) BCL2L1CES2CES1TSHRMAPK1
SCHEMBL13766957 0.76 PTGS1 (0.53) BCL2L1CES2CES1TSHRMAPK1
SCHEMBL5642169 0.76 TSHR (0.50) BCL2L1CES2CES1TSHRMAPK1
SCHEMBL5642170 0.76 TSHR (0.50) BCL2L1CES2CES1TSHRMAPK1
SCHEMBL28370928 0.76 PTGS1 (0.53) BCL2L1CES2CES1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-04-29 US claimed
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
EP-1482931-B1 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA INC (US) 2011-10-19 EP disclosed
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 US disclosed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
EP-1284734-B1 ISOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CUREGENICS LTD (IL) 2008-05-21 EP disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 US disclosed
EP-1482931-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE Transtech Pharma, Inc. (US) 2004-12-08 EP disclosed
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-04-29 US disclosed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 WO 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 (5 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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B BCL2L1 696/4885CES2 3538/4885CES1 2924/4885
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B BCL2L1 539/4885CES2 3562/4885CES1 3280/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B BCL2L1 571/4885CES2 3647/4885CES1 3152/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B BCL2L1 571/4885CES2 3647/4885CES1 3152/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B BCL2L1 571/4885CES2 3647/4885CES1 3152/4885

“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.