SCHEMBL9113341

SCHEMBL9113341

CC/C(=C\c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 1.00
ESR2 Q92731 4/20 1.00
PTGS1 P23219 9/20 0.59
PTGS2 P35354 5/20 0.56
NQO2 P16083 2/20 0.56
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
NR1I2 O75469 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
NR3C1 P04150 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
FYN P06241 1/20 0.50
PGR P06401 1/20 0.50
CHRM2 P08172 1/20 0.50
ADRB1 P08588 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50

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
SCHEMBL574346 1.00 ESR1 (1.00) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL3988719 0.90 ESR1 (0.82) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL9622832 0.90 ESR1 (0.82) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL3988713 0.90 ESR1 (0.82) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL8393141 0.90 ESR1 (0.82) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL8393139 0.90 ESR1 (0.82) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL5692913 0.89 ESR1 (0.80) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL5692915 0.89 ESR1 (0.80) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL9258161 0.84 ESR1 (0.72) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL9258167 0.84 ESR1 (0.72) ESR1ESR2PTGS1PTGS2NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577315-B2 Compositions and methods for treatment of prostate carcinoma PELLFICURE PHARMACEUTICALS, INC. (US) 2020-03-03 US disclosed
EP-3528799-A1 PHARMACEUTICAL COMPOSITIONS OF 5-HYDROXY-2-METHYLNAPHTHALENE-1, 4-DIONE Pellficure Pharmaceuticals, Inc. (US) 2019-08-28 EP disclosed
US-20190169122-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA PELLFICURE PHARMACEUTICALS 2019-06-06 US disclosed
WO-2018195202-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER PELLFICURE PHARMACEUTICALS INC. (US) 2018-10-25 WO disclosed
US-10093620-B2 Compositions and methods for treatment of prostate carcinoma PELLFICURE PHARMACEUTICALS, INC. (US) 2018-10-09 US disclosed
US-20180221306-A1 PHARMACEUTICAL COMPOSITIONS OF 5-HYDROXY-2-METHYLNAPHTHALENE-1,4-DIONE PELLFICURE PHARMACEUTICALS, INC. 2018-08-09 US disclosed
WO-2018080933-A1 PHARMACEUTICAL COMPOSITIONS OF 5-HYDROXY-2-METHYLNAPHTHALENE-1, 4-DIONE PELLFICURE PHARMACEUTICALS INC. (US) 2018-05-03 WO disclosed
US-20170283374-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA PELLFICURE PHARMACEUTICALS, INC. 2017-10-05 US disclosed
EP-3191087-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA Pellficure Pharmaceuticals, Inc. (US) 2017-07-19 EP disclosed
WO-2016040896-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA PELLFICURE PHARMACEUTICALS, INC. (US) 2016-03-17 WO disclosed
WO-1995015301-A1 PREPARATION OF 4,4'-DIHYDROXY-ALPHA-ALKYLSTILBENES AND 4,4'-DIHYDROXY-ALPHA, ALPHA'-DIALKYLSTILBENES THE DOW CHEMICAL COMPANY (US) 1995-06-08 WO disclosed
US-5382693-A Curing agents for epoxy resins THE DOW CHEMICAL COMPANY (US) 1995-01-17 US disclosed
WO-1994026690-A1 BIS(AMINOPHENOXY)-ALPHA-SUBSTITUTED STILBENES, CURABLE MIXTURES WITH EPOXY RESINS AND CURED PRODUCTS THE DOW CHEMICAL COMPANY (US) 1994-11-24 WO disclosed
US-5300594-A Bis(aminophenoxy)-alpha-substituted stilbenes, curable mixtures with epoxy resins and cured products THE DOW CHEMICAL COMPANY (US) 1994-04-05 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 (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-10093620-B2 Compositions and methods for treatment of prostate carcinoma KLK3, ACP3, NR5A1 ESR1 454/4885ESR2 223/4885PTGS1 229/4885
US-20190169122-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA KLK3, ACP3, NR5A1 ESR1 454/4885ESR2 223/4885PTGS1 229/4885
US-20180221306-A1 PHARMACEUTICAL COMPOSITIONS OF 5-HYDROXY-2-METHYLNAPHTHALENE-1,4-DIONE DHPS, SRD5A2, SRD5A1 ESR1 2341/4885ESR2 2002/4885PTGS1 519/4885
US-20170283374-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA KLK3, ACP3, NR5A1 ESR1 454/4885ESR2 223/4885PTGS1 229/4885
US-10577315-B2 Compositions and methods for treatment of prostate carcinoma KLK3, ACP3, NR5A1 ESR1 454/4885ESR2 223/4885PTGS1 229/4885

“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.