SCHEMBL726320

SCHEMBL726320

C/C(=C\c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.58
ESR2 Q92731 1/20 0.58
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
AKR1C3 P42330 1/20 0.52
AKR1C1 Q04828 1/20 0.50
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
NISCH Q9Y2I1 1/20 0.47
NQO2 P16083 3/20 0.47
PTGS1 P23219 3/20 0.47
PTGS2 P35354 3/20 0.47
FBP1 P09467 1/20 0.47
PRMT1 Q99873 1/20 0.45
KDM1A O60341 2/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL726321 1.00 ESR1 (0.58) ESR1ESR2ALDH1A1TSHRAKR1C3
SCHEMBL1225178 1.00 ESR1 (0.58) ESR1ESR2ALDH1A1TSHRAKR1C3
SCHEMBL7803180 0.95 ESR1 (0.64) ESR1ESR2ALDH1A1TSHRAKR1C3
Diphenylamine SCHEMBL10746269 0.88 ALDH1A1 (0.47) ESR1ESR2ALDH1A1TSHRAKR1C3
SCHEMBL9806375 0.87 ESR1 (0.55) ESR1ESR2ALDH1A1TSHRAKR1C3
SCHEMBL4602278 0.87 MAPT (0.59) ESR1ESR2ALDH1A1TSHRAKR1C3
SCHEMBL8089190 0.87 ESR1 (0.80) ESR1ESR2ALDH1A1TSHRAKR1C3
SCHEMBL6547576 0.87 ESR1 (0.55) ESR1ESR2ALDH1A1TSHRAKR1C3
SCHEMBL9806371 0.87 ESR1 (0.55) ESR1ESR2ALDH1A1TSHRAKR1C3
SCHEMBL8712456 0.87 ESR1 (0.80) ESR1ESR2ALDH1A1NQO2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130280245-A1 3-Aryl-6-aryl-[1,2,4]triazolo[4,3-alpha]pyridines as Inhibitors of Cell Proliferation and the Use Thereof IMPACT THERAPEUTICS, INC. (CN) 2013-10-24 US claimed
US-7008990-B2 Use of polymeric reaction product BASF AKTIENGESELLSCHAFT (DE) 2006-03-07 US claimed
WO-2006004722-A2 COMPOSITIONS AND METHODS FOR SELECTIVELY ACTIVATING HUMAN SIRTUINS BIOMOL RESEARCH LABORATORIES, INC. (US) 2006-01-12 WO claimed
EP-1144470-B1 THERMALLY STABLE POLYETHERAMINES DOW GLOBAL TECHNOLOGIES INC (US) 2005-11-30 EP claimed
US-20040034182-A1 Method for the production of a polymerisation reaction product BASF AKTIENGESELLSCHAFT (DE) 2004-02-19 US claimed
US-20030170306-A1 Use of polymeric reaction product BASF AKTIENGESELLSCHAFT (DE) 2003-09-11 US claimed
US-6589621-B1 A blend of an inorganic base, an organic base, a monofunctional organic nucleophile or a multifunctional organic nucleophile and a thermoplastic hydroxy-functionalized polyetheramine DOW GLOBAL TECHNOLOGIES INC. 2003-07-08 US claimed
EP-1294775-A1 METHOD FOR THE PRODUCTION OF A POLYMERISATION REACTION PRODUCT BASF AKTIENGESELLSCHAFT (DE) 2003-03-26 EP claimed
EP-1294786-A2 USE OF A POLYMER REACTION PRODUCT BASF AKTIENGESELLSCHAFT (DE) 2003-03-26 EP claimed
EP-1144470-A3 THERMALLY STABLE POLYETHERAMINES THE DOW CHEMICAL COMPANY (US) 2002-03-13 EP claimed
WO-2000001750-A2 THERMALLY STABLE POLYETHERAMINES THE DOW CHEMICAL COMPANY (US) 2000-01-13 WO claimed
US-5962093-A Thermally stable polyetheramines THE DOW CHEMICAL COMPANY (US) 1999-10-05 US claimed
WO-1999023134-A1 HYDROXY ETHER POLYMERS AS THERMOPLASTIC BARRIER RESINS THE DOW CHEMICAL COMPANY (US) 1999-05-14 WO claimed
WO-1999020673-A1 THERMALLY STABLE POLYETHERAMINES THE DOW CHEMICAL COMPANY (US) 1999-04-29 WO claimed
US-5808155-A HYDROXY COMPOUND RICOH COMPANY, LTD. (JP) 1998-09-15 US claimed
US-5686551-A DIHYDROXYSTILBENES, DIGLYCIDYL ETHERS THE DOW CHEMICAL COMPANY (US) 1997-11-11 US claimed
EP-0460994-B1 Method and apparatus to make evident one or more shocks received by a substrate HUTCHINSON SA (FR) 1995-03-15 EP claimed
EP-0579743-A1 DIAMINO-ALPHA-ALKYLSTILBENES THE DOW CHEMICAL COMPANY (US) 1994-01-26 EP claimed
US-5242830-A Detection of impact with fluorescent indicators by embedding microcapsules and releasing HUTCHINSON (FR) 1993-09-07 US claimed
EP-0460994-A1 Method and apparatus to make evident one or more shocks received by a substrate HUTCHINSON S.A. une SociÀ©té Anonyme dotée d'un Conseil de Surveillance et d'un Directoire (FR) 1991-12-11 EP claimed

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-20030170306-A1 Use of polymeric reaction product OXSR1, OGFR, CBR1 ESR1 1465/4885ESR2 956/4885ALDH1A1 2250/4885
US-20130280245-A1 3-Aryl-6-aryl-[1,2,4]triazolo[4,3-alpha]pyridines as Inhibitors of Cell Proliferation and the Use Thereof MKI67, CCNI, CCNA1 ESR1 1537/4885ESR2 370/4885ALDH1A1 128/4885

“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.