SCHEMBL3547671

SCHEMBL3547671

Cc1ccc(C=O)n1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 9/20 0.41
MAPT P10636 6/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 2/20 0.41
APEX1 P27695 1/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
MYC P01106 2/20 0.41
NR4A1 P22736 2/20 0.41
GAA P10253 2/20 0.41
NOTUM Q6P988 1/20 0.41
USP2 O75604 1/20 0.41
HSPA1A P0DMV8 1/20 0.41
ALOX15 P16050 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
SCHEMBL6268446 0.81 MAPT (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL29728425 0.79 ALOX12 (0.43) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL28802526 0.79 ALOX12 (0.43) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL65301 0.78 MAPT (0.54) ATMPTGS2ALDH1A1MAPTMEN1
SCHEMBL19429628 0.76 ALDH1A1 (0.45) PTGS2ALDH1A1MAPTMEN1KMT2A
SCHEMBL27401270 0.73 AVPR1A (0.43) ATMALDH1A1MAPTMEN1KMT2A
SCHEMBL4886001 0.71 ALDH1A1 (0.56) ATMALDH1A1MEN1KMT2AGSK3A
SCHEMBL3970588 0.69 GSK3A (0.47) PTGS2ALDH1A1MAPTMEN1KMT2A
SCHEMBL645648 0.69 POLB (0.68) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9370346 0.68 POLB (0.64) ALDH1A1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851644-B2 Heterocyclic metallocenes and polymerization catalysts BASELL POLYOLEFINE GMBH (DE) 2010-12-14 US disclosed
US-20090286945-A9 Heterocyclic metallocenes and polymerization catalysts EWEN JOHN A 2009-11-19 US disclosed
US-20080090978-A1 Heterocyclic metallocenes and polymerization catalysts EWEN JOHN A 2008-04-17 US disclosed
US-7238818-B2 Heterocyclic metallocenes and polymerization catalysts BASELL POLYOLEFINE GMBH (DE) 2007-07-03 US disclosed
EP-1327636-B1 Heterocyclic metallocenes and polymerisation catalysts BASELL POLYOLEFINE GMBH (DE) 2006-01-11 EP disclosed
US-20050192418-A1 Heterocyclic metallocenes and polymerization catalysts EQUISTAR CHEMICALS, LP 2005-09-01 US disclosed
EP-1327636-A2 Heterocyclic metallocenes and polymerisation catalysts Basell Polyolefine GmbH (DE) 2003-07-16 EP disclosed
CN-1113890-C Heterocyclic metallocenes and polymerization catalysts MONTELL TECHNOLOGY COMPANY BV (NL) 2003-07-09 CN disclosed
EP-0938491-B1 HETEROCYCLIC METALLOCENES AND POLYMERIZATION CATALYSTS BASELL POLYOLEFINE GMBH (DE) 2003-05-07 EP disclosed
CN-1244201-A Heterocyclic metallocenes and polymerization catalysts MONTELL TECHNOLOGY COMPANY BV (NL) 2000-02-09 CN disclosed
EP-0938491-A1 HETEROCYCLIC METALLOCENES AND POLYMERIZATION CATALYSTS Montell Technology Company B.V. (NL) 1999-09-01 EP disclosed
WO-1998022486-A1 HETEROCYCLIC METALLOCENES AND POLYMERIZATION CATALYSTS MONTELL TECHNOLOGY COMPANY B.V. (NL) 1998-05-28 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 (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-20090286945-A9 Heterocyclic metallocenes and polymerization catalysts GAK, ZYX, POLK ATM 2305/4885PTGS2 776/4885ALDH1A1 2772/4885
US-20050192418-A1 Heterocyclic metallocenes and polymerization catalysts GAK, INTS9, ZYX ATM 1496/4885PTGS2 874/4885ALDH1A1 2590/4885
US-20080090978-A1 Heterocyclic metallocenes and polymerization catalysts GAK, ZYX, POLK ATM 2305/4885PTGS2 776/4885ALDH1A1 2772/4885

“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.