SCHEMBL1226484

SCHEMBL1226484

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
SCHEMBL7912475 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0290012-A1 TGF-B2 and novel compositions having anti-neoplastic activity ONCOGEN (US) 1988-11-09 EP claimed
EP-4663633-A1 COMBINED PHARMACEUTICAL COMPOSITION OF SUBSTITUTED 2-HYDROGEN-PYRAZOLE DERIVATIVE AND USE THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2025-12-17 EP disclosed
WO-2024165068-A1 COMBINED PHARMACEUTICAL COMPOSITION OF SUBSTITUTED 2-HYDROGEN-PYRAZOLE DERIVATIVE AND USE THEREOF 正大天晴药业集团股份有限公司 2024-08-15 WO disclosed
WO-2023035614-A1 DRUG COMBINATION CONTAINING PI3Kα INHIBITOR 上海海和药物研究开发股份有限公司 2023-03-16 WO disclosed
EP-3233828-B1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2020-03-04 EP disclosed
CN-110294788-A New compound and application thereof 冰洲石生物科技公司 2019-10-01 CN disclosed
CN-108495618-B Novel compounds and uses thereof 冰洲石生物科技公司 2019-08-16 CN 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
EP-2459727-A2 BIOCATALYST FOR CATALYTIC HYDROAMINATION BASF SE (DE) 2012-06-06 EP disclosed
US-20120123155-A1 BIOCATALYST FOR CATALYTIC HYDROAMINATION BASF SE (DE) 2012-05-17 US disclosed
WO-2011012632-A2 BIOCATALYST FOR CATALYTIC HYDROAMINATION BASF SE (DE) 2011-02-03 WO disclosed
EP-1754709-A1 Process for preparing vinylphosphates DSM IP Assets B.V. (NL) 2007-02-21 EP disclosed
US-6759498-B2 Continuous anionic polymerization of mixtures comprising aromatic olefins, solvents and organolithium compounds, to form polymers having narrow molecular weight distribution and heat resistance used as packaging containers ASAHI KADEI KABUSHIKI KAISHA (JP) 2004-07-06 US disclosed
US-20030181610-A1 Process for producing styrene resin reduced in content of low-molecular ingredient ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-09-25 US disclosed
US-6608212-B1 Palladium catalyzed coupling of a vinylphosphate and aryl-metal halide; preparation of such as 1-(4-(2-(pyrrolidin-n-yl)-ethoxy)phenyl)-6-methoxy-3,4-dihydronaphthalene PFIZER, INC. 2003-08-19 US disclosed
EP-0290012-A1 TGF-B2 and novel compositions having anti-neoplastic activity ONCOGEN (US) 1988-11-09 EP disclosed
US-4339595-A Hexa(meta-,para-carboxyphenyl)benzene compounds STANDARD OIL COMPANY (INDIANA) (US) 1982-07-13 US 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 (2 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-20120123155-A1 BIOCATALYST FOR CATALYTIC HYDROAMINATION HDHD5, PAH, GRHPR ESR1 4055/4885ESR2 4489/4885MTNR1A 2503/4885
US-20170197915-A9 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.