SCHEMBL3138976

SCHEMBL3138976

[CH]1Oc2cc3ccccc3cc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
CASP6 P55212 1/20 0.41
CYP2A6 P11509 7/20 0.39
ALOX12 P18054 1/20 0.39
CYP1A2 P05177 4/20 0.39
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 4/20 0.38
HIF1A Q16665 3/20 0.38
NQO2 P16083 1/20 0.38
CYP1B1 Q16678 1/20 0.38
PDPK1 O15530 1/20 0.37
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL5306227 0.82 POLB (0.41) POLBCASP6CYP2A6ALOX12CYP1A2
SCHEMBL903605 0.75 AHR (0.46) POLBCASP6CYP2A6ALOX12CYP1A2
SCHEMBL16779994 0.75 AHR (0.46) POLBCASP6CYP2A6ALOX12CYP1A2
SCHEMBL3557 0.74
SCHEMBL14458072 0.71 AHR (0.54) POLBCASP6CYP2A6ALOX12NQO2
SCHEMBL18159595 0.70 MAPK1 (0.46) POLBCASP6CYP2A6ALOX12CYP1A2
Anthracene SCHEMBL29352043 0.69 CYP2A6 (0.64) CYP2A6ALOX12CYP1A2ALDH1A1HSD17B10
Anthracene SCHEMBL5713429 0.69 CYP2A6 (0.64) CYP2A6ALOX12CYP1A2ALDH1A1HSD17B10
Anthracene SCHEMBL7703 0.69 CYP2A6 (0.64) CYP2A6ALOX12CYP1A2ALDH1A1HSD17B10
Anthracene SCHEMBL2833889 0.69 CYP2A6 (0.64) CYP2A6ALOX12CYP1A2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126979-B2 Compounds for inhibiting the interaction of BCL2 with binding partners NOVARTIS AG (CH) 2015-09-08 US claimed
US-9126980-B2 Compounds for inhibiting the interaction of BCL2 with binding partners NOVARTIS AG (CH) 2015-09-08 US claimed
US-20150080428-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS NOVARTIS AG (CH) 2015-03-19 US claimed
US-20140357633-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2014-12-04 US claimed
US-20140357666-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS NOVARTIS AG (CH) 2014-12-04 US claimed
US-20140350014-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS NOVARTIS AG (CH) 2014-11-27 US claimed
US-20140343093-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS UCB PHARMA S.A. (BE) 2014-11-20 US claimed
EP-2794589-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS Novartis AG (CH) 2014-10-29 EP claimed
EP-2794591-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS Novartis AG (CH) 2014-10-29 EP claimed
EP-2794590-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS Novartis AG (CH) 2014-10-29 EP claimed
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US claimed
EP-1656355-B1 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-03-12 EP claimed
EP-1878728-A2 Derivatives of piperazine and higher homologues thereof for the treatment of inflammation-related disorders Amgen Inc. (US) 2008-01-16 EP claimed
US-7199244-B2 Cyclic amine derivatives and methods of use AMGEN (US) 2007-04-03 US claimed
EP-1656355-A2 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-05-17 EP claimed
US-20050234044-A1 Cyclic amine derivatives and methods of use AMGEN INC. 2005-10-20 US claimed
WO-2005061467-A2 PIPERAZINE DERIVATIVES AS BRADYKININ ANTAGONISTS AMGEN INC. (US) 2005-07-07 WO claimed
US-20050124654-A1 Compounds and methods of use AMGEN INC. 2005-06-09 US claimed
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects AMGEN INC. 2005-01-20 US claimed
US-4997836-A Inhibitor of platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-03-05 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 (9 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-20050124654-A1 Compounds and methods of use LTC4S, PTGES, LTB4R2 POLB 1559/4885CASP6 369/4885CYP2A6 46/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 POLB 1559/4885CASP6 369/4885CYP2A6 46/4885
US-20140343093-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS BCL2, BCL2A1, BCL2L1 POLB 2974/4885CASP6 205/4885CYP2A6 4001/4885
US-20140357633-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS BCL2, BCL2A1, BCL2L1 POLB 2974/4885CASP6 205/4885CYP2A6 4001/4885
US-20140357666-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS BCL2, BCL2A1, BCL2L1 POLB 2974/4885CASP6 205/4885CYP2A6 4001/4885
US-20140350014-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS BCL2, BCL2A1, BCL2L1 POLB 2974/4885CASP6 205/4885CYP2A6 4001/4885
US-20050234044-A1 Cyclic amine derivatives and methods of use PTGIS, BDKRB2, LTC4S POLB 762/4885CASP6 1108/4885CYP2A6 291/4885
US-20150080428-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS BCL2, BCL2A1, BCL2L1 POLB 3001/4885CASP6 165/4885CYP2A6 4136/4885
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects ACHE, TNF, BCHE POLB 3504/4885CASP6 1058/4885CYP2A6 113/4885

“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.