SCHEMBL7912475

SCHEMBL7912475

CC/C(=C\c1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.62
ESR2 Q92731 1/20 0.62
MTNR1A P48039 2/20 0.56
MTNR1B P49286 2/20 0.56
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP19A1 P11511 4/20 0.47
PTGS1 P23219 4/20 0.47
PTGS2 P35354 2/20 0.47
AKR1C1 Q04828 1/20 0.45

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
SCHEMBL1226484 1.00 ESR1 (0.62) ESR1ESR2MTNR1AMTNR1BMEN1
SCHEMBL5606420 1.00 ESR1 (0.62) ESR1ESR2MTNR1AMTNR1BMEN1
SCHEMBL8393141 0.88 ESR1 (0.82) ESR1ESR2MTNR1AMTNR1BCYP19A1
SCHEMBL3988719 0.88 ESR1 (0.82) ESR1ESR2MTNR1AMTNR1BCYP19A1
SCHEMBL10850323 0.88 ESR1 (0.59) ESR1ESR2MTNR1AMTNR1BMEN1
SCHEMBL8393139 0.88 ESR1 (0.82) ESR1ESR2MTNR1AMTNR1BCYP19A1
SCHEMBL9622832 0.88 ESR1 (0.82) ESR1ESR2MTNR1AMTNR1BCYP19A1
SCHEMBL3988713 0.88 ESR1 (0.82) ESR1ESR2MTNR1AMTNR1BCYP19A1
SCHEMBL30404084 0.84 PTGS1 (0.57) ESR1ESR2MTNR1AMTNR1BPTGS1
SCHEMBL14970299 0.84 PTGS1 (0.68) ESR1ESR2MEN1KMT2APTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172340-A1 Compositions and Methods for Selectively Activating Human Sirtuins BIOMOL INTERNATIONAL L.P. (US) 2012-07-05 US claimed
EP-0290012-A1 TGF-B2 and novel compositions having anti-neoplastic activity ONCOGEN (US) 1988-11-09 EP claimed
CN-107406424-B Estrogen receptor modulators and uses thereof 豪夫迈·罗氏有限公司 2020-08-25 CN disclosed
EP-3233828-B1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2020-03-04 EP disclosed
US-9845291-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2017-12-19 US disclosed
EP-3233828-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2017-10-25 EP disclosed
US-20170197915-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-07-13 US disclosed
US-9540361-B2 N-substituted azetidine derivatives MERCK SHARP & DOHME B.V. (NL) 2017-01-10 US disclosed
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-10-20 US disclosed
EP-2655367-B1 N-SUBSTITUTED AZETIDINE DERIVATIVES MERCK SHARP & DOHME (NL) 2016-07-06 EP disclosed
WO-2016097071-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2016-06-23 WO disclosed
EP-0103868-B1 IMPROVED ELECTRICAL INSULATING OIL AND OIL-FILLED ELECTRICAL APPLIANCES NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1987-04-08 EP disclosed
EP-0174378-A1 Electrical-insulating oil and oil-filled electrical appliances NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1986-03-19 EP disclosed
US-4543207-A ORGANIC ACID ESTERS, AROMATIC ETHERS, ANIMAL OILS, VEGETABLE OILS,AND AROMATIC OLEFINS NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1985-09-24 US disclosed
EP-0150908-A1 Use of Curable impregnant compositions for impregnating electrical appliances NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1985-08-07 EP disclosed
US-4506107-A CAPACITORS, CABLES, TRANSFORMERS, PLASTICS NIPPON PETROCHEMICAL COMPANY, LIMITED (JP) 1985-03-19 US disclosed
US-4493943-A MIXTURES OF DIARYLALKANES AND AROMATIC MONO-OR DI-OLEFINS NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1985-01-15 US disclosed
EP-0114385-A2 Electrical insulating oil and oil-filled electrical appliances NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1984-08-01 EP disclosed
EP-0103868-A2 Improved electrical insulating oil and oil-filled electrical appliances NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1984-03-28 EP disclosed
EP-0019377-A1 1-Hydrocarbyloxyphenyl-1,2-diphenylalkene derivatives, their manufacture and a pharmaceutical composition containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-11-26 EP 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-20120172340-A1 Compositions and Methods for Selectively Activating Human Sirtuins SIRT1, SIRT7, SIRT5 ESR1 1468/4885ESR2 921/4885MTNR1A 1215/4885
US-20170197915-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESR1, GPER1 ESR1 2/4885ESR2 1/4885MTNR1A 60/4885
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESR1, GPER1 ESR1 2/4885ESR2 1/4885MTNR1A 60/4885

“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.