SCHEMBL13630579

SCHEMBL13630579

Cc1ccc2c(c1)OCCC2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.41
MAP3K14 Q99558 2/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HSD17B2 P37059 1/20 0.39
TERT O14746 1/20 0.39
HTR2C P28335 2/20 0.37
ALDH2 P05091 1/20 0.36
NPC1 O15118 1/20 0.35
HTR1A P08908 2/20 0.34
CYP19A1 P11511 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
KDM6B O15054 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL21933121 1.00 ADRA2A (0.41) ADRA2AMAP3K14ALDH1A1GAAMAPT
SCHEMBL13616553 1.00 ADRA2A (0.41) ADRA2AMAP3K14ALDH1A1GAAMAPT
SCHEMBL11926953 0.85 ADRA2A (0.51) ADRA2AMAP3K14ALDH1A1GAAMAPT
SCHEMBL21933120 0.81 TOP2A (0.42) ALDH1A1TERTHTR2CALDH2CYP19A1
SCHEMBL6327487 0.81 TOP2A (0.42) ALDH1A1TERTHTR2CALDH2CYP19A1
SCHEMBL30456628 0.81 TOP2A (0.42) ALDH1A1TERTHTR2CALDH2CYP19A1
SCHEMBL24866897 0.80 MAP3K14 (0.65) ADRA2AMAP3K14HTR2CHTR1AKDM4C
SCHEMBL24166758 0.80 MAP3K14 (0.40) ADRA2AMAP3K14
SCHEMBL21922459 0.80 ADRA2A (0.40) ADRA2AMAP3K14ALDH1A1GAAMAPT
SCHEMBL24866905 0.80 MAP3K14 (0.65) ADRA2AMAP3K14HTR2CHTR1AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230000994-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES YALE UNIVERSITY 2023-01-05 US disclosed
EP-3193601-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2022-01-05 EP disclosed
US-11173211-B2 Compounds and methods for the targeted degradation of rapidly accelerated Fibrosarcoma polypeptides ARVINAS OPERATIONS, INC. (US) 2021-11-16 US disclosed
US-20200129627-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES ARVINAS OPERATIONS, INC. 2020-04-30 US disclosed
WO-2018035006-A1 CHROMANE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND USES THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2018-02-22 WO disclosed
WO-2018032467-A1 CHROMANE-SUBSTITUED TETRACYCLIC COMPOUNDS AND USES THEREOF FOR TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2018-02-22 WO disclosed
WO-2017161012-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-09-21 WO disclosed
US-20170240546-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-08-24 US disclosed
US-9643965-B2 Histone demethylase inhibitors Celgene Quantical Research, Inc. (US) 2017-05-09 US disclosed
US-20160194323-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-07-07 US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-9040525-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 US disclosed
EP-2703393-A1 CYCLIC AMIDE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2014-03-05 EP disclosed
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-02-27 US disclosed
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-08 US disclosed
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN INC. (US) 2009-11-05 US disclosed
US-7582803-B2 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN INC. (US) 2009-09-01 US disclosed
US-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN ING. (US) 2007-03-22 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 (11 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 ADRA2A 390/4885MAP3K14 2194/4885ALDH1A1 4135/4885
US-20160194323-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5C, KDM1A ADRA2A 4303/4885MAP3K14 2552/4885ALDH1A1 392/4885
US-20200129627-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES CRBN, ARAF, VHL ADRA2A 3021/4885MAP3K14 1818/4885ALDH1A1 2833/4885
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 ADRA2A 210/4885MAP3K14 1889/4885ALDH1A1 3072/4885
US-20170240546-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5C ADRA2A 4307/4885MAP3K14 2556/4885ALDH1A1 392/4885
US-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX ADRA2A 702/4885MAP3K14 4324/4885ALDH1A1 413/4885
US-11173211-B2 Compounds and methods for the targeted degradation of rapidly accelerated Fibrosarcoma polypeptides CRBN, ARAF, VHL ADRA2A 3021/4885MAP3K14 1818/4885ALDH1A1 2833/4885
US-20230000994-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES CRBN, ARAF, VHL ADRA2A 3021/4885MAP3K14 1818/4885ALDH1A1 2833/4885
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX ADRA2A 702/4885MAP3K14 4324/4885ALDH1A1 413/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 ADRA2A 390/4885MAP3K14 2194/4885ALDH1A1 4135/4885
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 ADRA2A 215/4885MAP3K14 1283/4885ALDH1A1 3127/4885

“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.