SCHEMBL3133651

SCHEMBL3133651

O=C(O)c1ccc(Oc2ccccc2F)cc1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.73
LPAR1 Q92633 18/20 0.70
LPAR5 Q9H1C0 18/20 0.70
SRD5A2 P31213 1/20 0.58

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
SCHEMBL9762139 0.88 PARP10 (0.71) PARP10LPAR1LPAR5SRD5A2
SCHEMBL7706043 0.87 SRD5A2 (0.68) PARP10LPAR1LPAR5SRD5A2
SCHEMBL3135333 0.86 LPAR1 (0.56) PARP10LPAR1LPAR5SRD5A2
Hydrochloric Acid SCHEMBL8433836 0.85 SRD5A2 (0.66) PARP10LPAR1LPAR5SRD5A2
Hydrochloric Acid SCHEMBL8433842 0.85 SRD5A2 (0.66) PARP10LPAR1LPAR5SRD5A2
SCHEMBL8628620 0.85 LPAR1 (0.58) PARP10LPAR1LPAR5SRD5A2
SCHEMBL9762806 0.84 PARP10 (0.71) PARP10LPAR1LPAR5
SCHEMBL3022362 0.84 PARP10 (1.00) PARP10LPAR1LPAR5
SCHEMBL30289632 0.84 PARP10 (1.00) PARP10LPAR1LPAR5
SCHEMBL16507486 0.84 LPAR1 (1.00) LPAR1LPAR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894497-A Imidazopyrimidine compounds, and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-04-04 CN disclosed
CN-109311860-A For treating or preventing the Xanthone derivative of hepatitis type B virus disease 豪夫迈·罗氏有限公司 2019-02-05 CN disclosed
US-20190010129-A1 Amide derivatives as lysophosphatidic acid receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED 2019-01-10 US disclosed
US-10100018-B2 Amide derivatives as lysophosphatidic acid receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-16 US disclosed
EP-2773352-B1 1-SUBSTITUTED 4-ARYLPIPERAZINE AS KAPPA OPIOID RECEPTOR ANTAGONISTS RES TRIANGLE INST (US) 2017-06-28 EP disclosed
US-9512105-B2 1-substituted 4-arylpiperazine as kappa opioid receptor antagonists RESEARCH TRIANGLE INSTITUTE (US) 2016-12-06 US disclosed
US-9464060-B2 Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-11 US disclosed
US-9464060-B2 Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-11 US disclosed
US-9464060-B2 Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-11 US disclosed
US-20160207880-A1 AMIDE DERIVATIVES AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-21 US disclosed
CN-104163772-A Substituted diaryl ester compound, and preparation method and application thereof UNIV XIAMEN 2014-11-26 CN disclosed
EP-2773352-A2 1-SUBSTITUTED 4-ARYLPIPERAZINE AS KAPPA OPIOID RECEPTOR ANTAGONISTS Research Triangle Institute, International (US) 2014-09-10 EP disclosed
WO-2013086496-A2 1-SUBSTITUTED 4-ARYLPIPERAZINE AS KAPPA OPIOID RECEPTOR ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2013-06-13 WO disclosed
EP-1873153-B1 3-AZETIDINECARBOXYLIC ACID DERIVATIVES FOR USE AS IMMUNOSUPPRESSANTS DAIICHI SANKYO CO LTD (JP) 2010-07-07 EP disclosed
US-7687491-B2 Heterocyclic compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-03-30 US disclosed
CN-101203512-A Heterocyclic compounds DAIICHI SANKYO CO LTD (JP) 2008-06-18 CN disclosed
US-20080113961-A1 Immunosuppressants with low toxicity; 1-({4-Methyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl}methyl)azetidine-3-carboxylic acid for example; autoimmune diseases and transplant rejection; N-substituted azetidine, pyrrolidine or piperidine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-05-15 US disclosed
EP-1873153-A1 HETEROCYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-01-02 EP disclosed
US-5012017-A Peroxide oxidation of halogenated phenoxyphenones to phenoxyophenyl esters, then conversions to phenoxyphenols DOWELANCO (US) 1991-04-30 US disclosed
WO-1990009979-A1 METHODS FOR THE PREPARATION OF BROMINATED INTERMEDIATES THE DOW CHEMICAL COMPANY (US) 1990-09-07 WO 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 (4 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-10100018-B2 Amide derivatives as lysophosphatidic acid receptor antagonists LPAR1, LPAR2, LPAR3 PARP10 1379/4885LPAR1 1/4885LPAR5 5/4885
US-20190010129-A1 Amide derivatives as lysophosphatidic acid receptor antagonists LPAR1, LPAR2, LPAR3 PARP10 1364/4885LPAR1 1/4885LPAR5 5/4885
US-20080113961-A1 Immunosuppressants with low toxicity; 1-({4-Methyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl}methyl)azetidine-3-carboxylic acid for example; autoimmune diseases and transplant rejection; N-substituted azetidine, pyrrolidine or piperidine compounds TPMT, AZI2, IDO1 PARP10 4410/4885LPAR1 2850/4885LPAR5 2886/4885
US-20160207880-A1 AMIDE DERIVATIVES AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR3 PARP10 1379/4885LPAR1 1/4885LPAR5 5/4885

“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.