SCHEMBL5340573

SCHEMBL5340573

CC(C)c1cc(=O)c2ccccc2o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 8/20 0.59
PARP1 P09874 4/20 0.59
TNKS2 Q9H2K2 4/20 0.59
PARP2 Q9UGN5 2/20 0.59
HDAC6 Q9UBN7 1/20 0.59
KDM4E B2RXH2 5/20 0.56
USP2 O75604 1/20 0.56
CSNK2A2 P19784 1/20 0.56
PTGS1 P23219 1/20 0.56
CSNK2B P67870 1/20 0.56
CSNK2A1 P68400 1/20 0.56
CSNK2A3 Q8NEV1 1/20 0.56
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
HPGD P15428 5/20 0.53
TP53 P04637 2/20 0.53
CYP3A4 P08684 2/20 0.53
GABRP O00591 2/20 0.53
GABRD O14764 2/20 0.53

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
SCHEMBL11160070 0.82 TNKS (0.50) TNKSPARP1TNKS2PARP2HDAC6
SCHEMBL21510140 0.81 TNKS (0.49) TNKSPARP1TNKS2PARP2HDAC6
SCHEMBL16915378 0.81 HPGD (0.62) TNKSPARP1TNKS2PARP2HDAC6
SCHEMBL2483048 0.81 KDM4E (0.56) TNKSPARP1TNKS2PARP2HDAC6
SCHEMBL30503392 0.81 KDM4E (0.56) TNKSPARP1TNKS2PARP2HDAC6
SCHEMBL11508591 0.80 HPGD (0.51) TNKSPARP1TNKS2PARP2HDAC6
SCHEMBL23334899 0.78 TNKS (0.49) TNKSPARP1TNKS2PARP2HDAC6
SCHEMBL14243496 0.77 AKR1B1 (0.61) TNKSPARP1TNKS2KDM4ESMN1; SMN2
SCHEMBL29382214 0.77 TNKS (0.51) TNKSPARP1TNKS2PARP2HDAC6
SCHEMBL6949930 0.76 KDM4E (0.55) TNKSPARP1TNKS2PARP2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018045-B2 17-beta-hydroxywithanolides and use thereof in treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-06-25 US disclosed
US-20240018133-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2024-01-18 US disclosed
US-20240018133-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2024-01-18 US disclosed
WO-2023180463-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2023-09-28 WO disclosed
US-11725010-B2 Polyheterocyclic compounds as METTL3 inhibitors STORM THERAPEUTICS LIMITED (GB) 2023-08-15 US disclosed
US-20210363136-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2021-11-25 US disclosed
WO-2021085372-A1 RESIN COMPOSITION, COMPOUND (Z), OPTICAL FILTER, AND USE THEREOF JSR株式会社 2021-05-06 WO disclosed
US-20200347043-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2020-11-05 US disclosed
US-20200216430-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2020-07-09 US disclosed
US-20200048195-A1 SUBSTITUTED PYRROLIDINE CARBOXAMIDE COMPOUNDS Epizyme, Inc. 2020-02-13 US disclosed
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-8252936-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2012-08-28 US disclosed
US-8008499-B2 Anabaseine derivatives, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2011-08-30 US disclosed
US-20100311773-A1 NOVEL ANABASEINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF Cornerstone Therapeutic, Inc. (US) 2010-12-09 US disclosed
US-7662965-B2 3-(3-(2,5-dichlorophenyl)furan-2-yl)methylene)-3,4,5,6-tetrahydropyridin-2-yl)pyridine; antiinflammatory agent for inhibiting cytokine release from mammalian cells; treating CNS disorders; agonists of nicotinic acetylcholine receptors CORNERSTONE THERAPEUTICS, INC. (US) 2010-02-16 US disclosed
US-20090192175-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2009-07-30 US disclosed
US-20070232651-A1 Novel anabaseine derivatives, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH 2007-10-04 US disclosed
EP-1776161-A1 COSMETIC OR DERMOPHARMACEUTICAL COMPOSITION COMPRISING AT LEAST ONE UDP GLUCURONOSYL TRANSFERASE (UGT) ENZYMES INDUCER Sederma S.A.S. (FR) 2007-04-25 EP disclosed
WO-2005102266-A1 COSMETIC OR DERMOPHARMACEUTICAL COMPOSITION COMPRISING AT LEAST ONE UDP GLUCURONOSYL TRANSFERASE (UGT) ENZYMES INDUCER SEDERMA, SAS (FR) 2005-11-03 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 (12 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-20070232651-A1 Novel anabaseine derivatives, pharmaceutical compositions and methods of use thereof CHRNA7, CHRNA10, CHRNA5 TNKS 1170/4885PARP1 1866/4885TNKS2 1345/4885
US-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B TNKS 3488/4885PARP1 2385/4885TNKS2 3043/4885
US-20210363136-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 TNKS 1088/4885PARP1 1291/4885TNKS2 882/4885
US-12018045-B2 17-beta-hydroxywithanolides and use thereof in treating cancer HSD17B7, CYP17A1, HSD17B11 TNKS 3288/4885PARP1 1348/4885TNKS2 2238/4885
US-20240018133-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 TNKS 1088/4885PARP1 1291/4885TNKS2 882/4885
US-20200347043-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 TNKS 1088/4885PARP1 1291/4885TNKS2 882/4885
US-20090192175-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, CYP1B1 TNKS 3340/4885PARP1 2735/4885TNKS2 3568/4885
US-11725010-B2 Polyheterocyclic compounds as METTL3 inhibitors METTL3, DIMT1, TPMT TNKS 633/4885PARP1 710/4885TNKS2 748/4885
US-20100311773-A1 NOVEL ANABASEINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA10, CHRNA5 TNKS 1170/4885PARP1 1866/4885TNKS2 1345/4885
US-20200048195-A1 SUBSTITUTED PYRROLIDINE CARBOXAMIDE COMPOUNDS SMYD3, SMYD2, SMURF2 TNKS 2676/4885PARP1 3438/4885TNKS2 1087/4885
US-20200216430-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT CYBB, NOX4, NOX3 TNKS 730/4885PARP1 600/4885TNKS2 957/4885
US-20130165464-A1 HETEROARYLS AND USES THEREOF PIK3C2B, PI4KB, PIK3R4 TNKS 3870/4885PARP1 2571/4885TNKS2 3014/4885

“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.