SCHEMBL5087997

SCHEMBL5087997

COc1ccc(/C=C/C(=O)c2cc(Br)ccc2O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.76
SMN1; SMN2 Q16637 5/20 0.76
MEN1 O00255 5/20 0.76
KMT2A Q03164 5/20 0.76
ALDH1A1 P00352 4/20 0.76
KDM4E B2RXH2 3/20 0.76
MAPK1 P28482 3/20 0.76
TDP1 Q9NUW8 2/20 0.76
HPGD P15428 2/20 0.76
ALOX15 P16050 2/20 0.76
HSD17B10 Q99714 2/20 0.76
LMNA P02545 3/20 0.75
POLB P06746 2/20 0.75
HSP90AA1 P07900 1/20 0.75
MAOA P21397 3/20 0.73
MAOB P27338 3/20 0.73
NPSR1 Q6W5P4 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
CYP2C19 P33261 2/20 0.67
CYP3A4 P08684 2/20 0.67

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
SCHEMBL5088006 1.00 MAPT (0.76) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL25265052 0.89 MAPT (0.80) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30383556 0.89 MAPT (0.80) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL25191007 0.89 MAPT (0.80) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL25327273 0.89 MAPT (0.89) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5422585 0.86 MAPT (0.80) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5082144 0.86 MAPT (1.00) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5082149 0.86 MAPT (1.00) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5422587 0.86 MAPT (0.80) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL14692628 0.86 NR1H4 (0.79) MAPTSMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190008797-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-01-10 US disclosed
WO-2017132135-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-03 WO disclosed
US-9085520-B2 Composition for treating diabetes and metabolic diseases and a preparation method thereof KAOHSIUNG MEDICAL UNIVERSITY (TW) 2015-07-21 US disclosed
US-9085520-B2 Composition for treating diabetes and metabolic diseases and a preparation method thereof KAOHSIUNG MEDICAL UNIVERSITY (TW) 2015-07-21 US disclosed
US-9085520-B2 Composition for treating diabetes and metabolic diseases and a preparation method thereof KAOHSIUNG MEDICAL UNIVERSITY (TW) 2015-07-21 US disclosed
US-20140350304-A1 COMPOSITION FOR TREATING DIABETES AND METABOLIC DISEASES AND A PREPARATION METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2014-11-27 US disclosed
US-20140350304-A1 COMPOSITION FOR TREATING DIABETES AND METABOLIC DISEASES AND A PREPARATION METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2014-11-27 US disclosed
US-20140350304-A1 COMPOSITION FOR TREATING DIABETES AND METABOLIC DISEASES AND A PREPARATION METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2014-11-27 US disclosed
US-20140194474-A1 COMPOSITION FOR TREATING ATHEROSCLEROSIS AND A PREPARATION METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2014-07-10 US disclosed
US-20140194474-A1 COMPOSITION FOR TREATING ATHEROSCLEROSIS AND A PREPARATION METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2014-07-10 US disclosed
US-20130040996-A1 COMPOSITION FOR TREATING ATHEROSCLEROSIS AND A PREPARATION METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2013-02-14 US disclosed
US-20130040996-A1 COMPOSITION FOR TREATING ATHEROSCLEROSIS AND A PREPARATION METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2013-02-14 US disclosed
WO-2013022951-A1 COMPOSITION FOR TREATING DIABETES AND METABOLIC DISEASES AND A PREPARATION METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2013-02-14 WO disclosed
WO-2007115181-A9 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEM CO (US) 2008-04-03 WO disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US disclosed
WO-2007115181-A2 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2007-10-11 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 (5 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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 MAPT 4566/4885SMN1; SMN2 3973/4885MEN1 4281/4885
US-20130040996-A1 COMPOSITION FOR TREATING ATHEROSCLEROSIS AND A PREPARATION METHOD THEREOF CDK4, PPARD, CCND1 MAPT 4298/4885SMN1; SMN2 4590/4885MEN1 4710/4885
US-20140194474-A1 COMPOSITION FOR TREATING ATHEROSCLEROSIS AND A PREPARATION METHOD THEREOF CDK4, PPARD, CCND1 MAPT 4298/4885SMN1; SMN2 4590/4885MEN1 4710/4885
US-20190008797-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF ESRRG, GPER1, ESR2 MAPT 4210/4885SMN1; SMN2 3164/4885MEN1 4505/4885
US-20140350304-A1 COMPOSITION FOR TREATING DIABETES AND METABOLIC DISEASES AND A PREPARATION METHOD THEREOF FABP1, GYS2, CYP7B1 MAPT 4070/4885SMN1; SMN2 4559/4885MEN1 3924/4885

“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.