SCHEMBL640130

SCHEMBL640130

CC/C(=C(\c1ccc(OCCN(C)C)cc1)c1ccc(OC(C)=O)cc1)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.81
ESR2 Q92731 6/20 0.81
MAPT P10636 3/20 0.81
MEN1 O00255 3/20 0.81
TP53 P04637 3/20 0.81
CYP3A4 P08684 3/20 0.81
KMT2A Q03164 3/20 0.81
PGR P06401 2/20 0.81
ESRRG P62508 2/20 0.81
CYP1A2 P05177 2/20 0.81
CYP2D6 P10635 2/20 0.81
NPC1 O15118 1/20 0.81
NR1I2 O75469 1/20 0.81
PRKD3 O94806 1/20 0.81
ABCB11 O95342 1/20 0.81
EGFR P00533 1/20 0.81
GBA1 P04062 1/20 0.81
NR3C1 P04150 1/20 0.81
ERBB2 P04626 1/20 0.81
PRKCG P05129 1/20 0.81

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
SCHEMBL640131 1.00 ESR1 (0.81) ESR1ESR2MAPTMEN1TP53
SCHEMBL640132 1.00 ESR1 (0.81) ESR1ESR2MAPTMEN1TP53
SCHEMBL10016282 0.93 ESR1 (0.77) ESR1ESR2MAPTMEN1TP53
Tamoxifen SCHEMBL2412102 0.93 ESR1 (0.90) ESR1ESR2MAPTMEN1TP53
Tamoxifen SCHEMBL2412107 0.93 ESR1 (0.90) ESR1ESR2MAPTMEN1TP53
Tamoxifen SCHEMBL28507550 0.92 ESR1 (0.92) ESR1ESR2MAPTMEN1TP53
SCHEMBL11480957 0.91 ESR1 (0.81) ESR1ESR2MAPTMEN1TP53
SCHEMBL11484617 0.91 ESR1 (0.66) ESR1ESR2MAPTMEN1TP53
Tamoxifen SCHEMBL17262111 0.90 ESR1 (1.00) ESR1ESR2MAPTMEN1TP53
Tamoxifen SCHEMBL4085 0.90 ESR1 (1.00) ESR1ESR2MAPTMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0011372-B1 1-ACYLOXYPHENYL-1,2-DIPHENYLALKENE DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE AND A PHARMACEUTICAL COMPOSITION CONTAINING THESE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-02-09 EP claimed
EP-0011372-A1 1-Acyloxyphenyl-1,2-diphenylalkene derivatives, processes for their manufacture and a pharmaceutical composition containing these derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-05-28 EP claimed
US-8119695-B2 Compounds and methods for treating breast cancer and other diseases CITY OF HOPE (US) 2012-02-21 US disclosed
US-20090176305-A1 COMPOUNDS AND METHODS FOR TREATING BREAST CANCER AND OTHER DISEASES CITY OF HOPE 2009-07-09 US disclosed
US-7531578-B2 Acetic acid 4-{1-[4-(2-dimethylamino-ethoxy)-phenyl]-2-phenyl-but-1-enyl}-phenyl ester; estrogen related receptor (ERR beta or ERR gamma) antagonist; thirty times more effective than 4-hydroxytamoxifen CITY OF HOPE (US) 2009-05-12 US disclosed
US-20050096384-A1 Compounds and methods for treating breast cancer and other diseases CITY OF HOPE 2005-05-05 US disclosed
EP-0011372-B1 1-ACYLOXYPHENYL-1,2-DIPHENYLALKENE DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE AND A PHARMACEUTICAL COMPOSITION CONTAINING THESE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-02-09 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 (1 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-20050096384-A1 Compounds and methods for treating breast cancer and other diseases ESRRB, ESRRG, ESRRA ESR1 7/4885ESR2 4/4885MAPT 3582/4885

“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.