SCHEMBL434873

SCHEMBL434873

Cc1ccc2oc(C(C)(C)C)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.49
ALDH1A1 P00352 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
ADORA3 P0DMS8 1/20 0.46
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
MAOA P21397 2/20 0.44
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 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
SCHEMBL18469476 0.84 ALDH1A1 (0.44) MAOBALDH1A1MAPTHTTCYP1A2
SCHEMBL28128651 0.82 MAOB (0.47) MAOBALDH1A1CA12CA1CA2
SCHEMBL10173405 0.80 ADAM17 (0.43) ALDH1A1MAPT
SCHEMBL13923566 0.78 MAOB (0.50) MAOBALDH1A1CA12CA1CA2
SCHEMBL21010771 0.78 ALDH1A1 (0.35) ALDH1A1CA12CA1CA9MAPT
SCHEMBL4790661 0.78 CA12 (0.46) CA12CA1CA2CA9CYP1A2
SCHEMBL25159374 0.76 STS (0.35) CA12CA1CA2CA9MAPT
SCHEMBL13923568 0.76 CYP2A6 (0.53) MAOBALDH1A1CA12CA1CA2
SCHEMBL23172755 0.76 APP (0.43) ALDH1A1
SCHEMBL10222547 0.76 CYP1A2 (0.41) ALDH1A1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787798-B2 Aryl piperidines as monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-17 US disclosed
US-20230212207-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-07-06 US disclosed
US-20230212207-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-07-06 US disclosed
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 US disclosed
US-20200055823-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2020-02-20 US disclosed
US-20190077762-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2019-03-14 US disclosed
US-9914724-B2 C-aryl glycosid derivatives, pharmaceutical composition, preparation process and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-03-13 US disclosed
US-9914724-B2 C-aryl glycosid derivatives, pharmaceutical composition, preparation process and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-03-13 US disclosed
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 US disclosed
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 US disclosed
US-20150005287-A2 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-01 US disclosed
US-20150005287-A2 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-01 US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-7989472-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-20110112089-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2011-05-12 US disclosed
US-7915300-B2 Especially those of papain superfamily; prophylaxis or treatment of disorders stemming from misbalance of physiological proteases such as cathepsin K; (3aS,6S,6aS)-6-Fluoro-4-{(S)-4-methyl-2-[(R)-2,2,2-trifluoro-1-(4'-methanesulfonylbiphenyl-4-yl)-ethylamino]-pentanoyl}-tetrahydro-furo[3,2-b]pyrrol-3-one MEDIVIR AB (SE) 2011-03-29 US disclosed
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 US disclosed
US-20080234260-A1 Cysteine Protease inhibitors MEDIVIR AB (SE) 2008-09-25 US 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-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 MAOB 4060/4885ALDH1A1 1445/4885CA12 3638/4885
US-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 MAOB 4060/4885ALDH1A1 1445/4885CA12 3638/4885
US-20230212207-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OTC, OCIAD1 MAOB 389/4885ALDH1A1 423/4885CA12 4687/4885
US-20080234260-A1 Cysteine Protease inhibitors CTSS, CTSZ, CTSK MAOB 1556/4885ALDH1A1 4169/4885CA12 1351/4885
US-20150005287-A2 QUINOLONE COMPOUND HAX1, NQO2, VIP MAOB 4197/4885ALDH1A1 1492/4885CA12 3630/4885
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use GCGR, GLP1R, GPR119 MAOB 1677/4885ALDH1A1 4625/4885CA12 1857/4885
US-11787798-B2 Aryl piperidines as monoacylglycerol lipase modulators MGLL, LPL, PNLIP MAOB 25/4885ALDH1A1 102/4885CA12 4841/4885
US-20110112089-A1 Cysteine Protease Inhibitors CTSS, CTSZ, CTSK MAOB 1803/4885ALDH1A1 4297/4885CA12 1913/4885
US-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 MAOB 4037/4885ALDH1A1 1466/4885CA12 3657/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 MAOB 4060/4885ALDH1A1 1445/4885CA12 3638/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 MAOB 3978/4885ALDH1A1 1573/4885CA12 3803/4885
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH MAOB 197/4885ALDH1A1 461/4885CA12 3032/4885

“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.