SCHEMBL4032655

SCHEMBL4032655

Oc1ccc2oc(-c3ccc(F)cc3)nc2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.81
ESR2 Q92731 12/20 0.81
PIK3CA P42336 1/20 0.69
PIK3CB P42338 1/20 0.69
APP P05067 1/20 0.57
MAPT P10636 2/20 0.56
HSPD1 P10809 1/20 0.53
PTPN2 P17706 1/20 0.53
PTPN1 P18031 1/20 0.53
PTPN5 P54829 1/20 0.53
HSPE1 P61604 1/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
TP53 P04637 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
GFER P55789 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53

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
SCHEMBL27090233 0.92 ESR1 (0.96) ESR1ESR2PIK3CAPIK3CBAPP
SCHEMBL4476460 0.90 ESR1 (1.00) ESR1ESR2PIK3CAPIK3CBAPP
SCHEMBL9114641 0.87 ESR1 (0.81) ESR1ESR2PIK3CAPIK3CBAPP
SCHEMBL13254495 0.86 KDM4E (0.59) ESR1ESR2PIK3CBMAPTHSPD1
SCHEMBL18726303 0.84 ESR1 (0.81) ESR1ESR2PIK3CAPIK3CBAPP
SCHEMBL5901662 0.83 ESR1 (0.81) ESR1ESR2PIK3CAPIK3CBAPP
SCHEMBL1375808 0.83 ESR2 (1.00) ESR1ESR2PIK3CAPIK3CBAPP
SCHEMBL9467880 0.83 HDAC6 (0.57) ESR1ESR2MAPTHSPD1PTPN2
SCHEMBL16901786 0.83 ESR1 (0.79) ESR1ESR2PIK3CAPIK3CBAPP
SCHEMBL4077794 0.82 ESR1 (1.00) ESR1ESR2PIK3CAPIK3CBAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3307798-B2 ALIGNMENT COMPOUNDS TRANSITIONS OPTICAL INC (US) 2024-06-05 EP disclosed
CN-107743594-B Alignment polymers 光学转变公司 2022-07-01 CN disclosed
EP-3307797-B1 ALIGNMENT POLYMERS TRANSITIONS OPTICAL INC (US) 2021-10-20 EP disclosed
US-11130912-B2 Alignment polymers TRANSITIONS OPTICAL, INC. (US) 2021-09-28 US disclosed
US-10875833-B2 Alignment compounds TRANSITIONS OPTICAL, INC. (US) 2020-12-29 US disclosed
EP-3307798-B1 ALIGNMENT COMPOUNDS TRANSITIONS OPTICAL INC (US) 2020-08-05 EP disclosed
US-20180127653-A1 Alignment Polymers TRANSITIONS OPTICAL, INC. 2018-05-10 US disclosed
US-20180086725-A1 Alignment Compounds TRANSITIONS OPTICAL, INC. 2018-03-29 US disclosed
EP-1806346-B1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS INC (US) 2009-07-22 EP disclosed
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 US disclosed
US-7125876-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-24 US disclosed
EP-1567525-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2005-08-31 EP disclosed
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 US disclosed
WO-2004052887-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-06-24 WO disclosed
EP-0623115-A4 NUCLEOPHILIC DISPLACEMENT METHOD FOR SYNTHESIS OF NON-RIGID PBZ POLYMERS. DOW CHEMICAL CO (US) 1995-01-11 EP disclosed
EP-0623115-A1 NUCLEOPHILIC DISPLACEMENT METHOD FOR SYNTHESIS OF NON-RIGID PBZ POLYMERS THE DOW CHEMICAL COMPANY (US) 1994-11-09 EP disclosed
WO-1993014071-A1 NUCLEOPHILIC DISPLACEMENT METHOD FOR SYNTHESIS OF NON-RIGID PBZ POLYMERS THE DOW CHEMICAL COMPANY (US) 1993-07-22 WO disclosed
US-5216110-A Monomers useful in nucleophilic displacement synthesis of polybenzazole polymers THE DOW CHEMICAL COMPANY (US) 1993-06-01 US disclosed
US-5194562-A Nucleophilic displacement method for synthesis of non-rigid PBZ polymers THE DOW CHEMICAL COMPANY (US) 1993-03-16 US disclosed
US-5104960-A Nucleophilic displacement method for synthesis of non-rigid PBZ polymers THE DOW CHEMICAL COMPANY (US) 1992-04-14 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 (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-10875833-B2 Alignment compounds CYP19A1, ESR1, CCNE2 ESR1 2/4885ESR2 44/4885PIK3CA 866/4885
US-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A ESR1 3761/4885ESR2 2283/4885PIK3CA 1912/4885
US-20180086725-A1 Alignment Compounds CYP19A1, ESR1, CCNE2 ESR1 2/4885ESR2 44/4885PIK3CA 866/4885

“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.