SCHEMBL5109909

SCHEMBL5109909

C1=CN=Cc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39

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
SCHEMBL3101816 0.77 TRPA1 (0.42) TRPA1CA1CA2
SCHEMBL24339290 0.72 KDM4E (0.32)
SCHEMBL5640196 0.72
SCHEMBL2405953 0.70 TRPA1 (0.32) TRPA1
SCHEMBL2405951 0.70 TRPA1 (0.32) TRPA1
SCHEMBL9464916 0.69 PARP1 (0.55) TRPA1
SCHEMBL30984425 0.69 TRPA1 (0.36) TRPA1
SCHEMBL1649592 0.69 TRPA1 (0.36) TRPA1
SCHEMBL1649593 0.69 TRPA1 (0.36) TRPA1
Indene SCHEMBL8617 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11001698-B2 Stabilizer composition BASF SE 2021-05-11 US disclosed
US-10836688-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose ABBVIE INC. (US) 2020-11-17 US disclosed
US-10683256-B2 Process for preparing substituted biphenyls BASF SE (DE) 2020-06-16 US disclosed
US-20200148610-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE ABBVIE INC. 2020-05-14 US disclosed
US-20200048431-A1 STABILIZER COMPOSITION BASF SE (DE) 2020-02-13 US disclosed
US-20200048394-A1 HARDENABLE POLYMER COMPOSITION BASF SE (DE) 2020-02-13 US disclosed
US-20190210954-A1 Process for Preparing Substituted Biphenyls LIANHE CHEMICAL TECHNOLOGY CO., LTD (CN) 2019-07-11 US disclosed
US-20170217850-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE ABBVIE INC. 2017-08-03 US disclosed
US-20170217850-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE ABBVIE INC. 2017-08-03 US disclosed
US-7435729-B2 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-14 US disclosed
US-20050004360-A1 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, INC. 2005-01-06 US disclosed
US-20040082575-A1 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-6686351-B2 PARTIALLY HYDROGENATED FUSED INDENE, NAPHTHALENE, ISOINDOLE, ISOQUINOLINE, BENZOAZEPINE AND BENZOCYCLOHEPTENE DERIVATIVES SUBSTITUTED BY A HYDROXY GROUP OR DERIVATIVE AND AN ARYL OR N-HETEROARYL GROUP SIGNAL PHARMACEUTICALS, INC. 2004-02-03 US disclosed
EP-1322617-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-07-02 EP disclosed
US-20030087901-A1 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, INC. 2003-05-08 US disclosed
US-6514964-B1 Treating diseases, conditions or disorders mediated by integrin receptors, such as vitronectin and fibronectin receptors AMGEN INC. 2003-02-04 US disclosed
US-6436923-B1 ESTROGEN ANTAGONISTS AND/OR AGONISTS FOR TREATING ESTROGEN-RELATED CONDITIONS SIGNAL PHARMACEUTICALS, INC. 2002-08-20 US disclosed
WO-2002024653-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-03-28 WO disclosed
EP-1163225-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2001-12-19 EP disclosed
WO-2000055137-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2000-09-21 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 (8 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-10683256-B2 Process for preparing substituted biphenyls PIK3CA, PIK3CB, PIK3CG TRPA1 2966/4885CA1 3094/4885CA2 3172/4885
US-20200148610-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE LIPA, ALG1, CEL TRPA1 3258/4885CA1 3472/4885CA2 2169/4885
US-20190210954-A1 Process for Preparing Substituted Biphenyls PIK3CA, PIK3CB, PIK3CG TRPA1 2966/4885CA1 3094/4885CA2 3172/4885
US-10836688-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose LIPA, ALG1, CEL TRPA1 3258/4885CA1 3472/4885CA2 2169/4885
US-20050004360-A1 Compounds and methods for modulation of estrogen receptors ESRRB, ESR2, ESRRA TRPA1 793/4885CA1 1753/4885CA2 2363/4885
US-20170217850-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE LIPA, ALG1, CEL TRPA1 3258/4885CA1 3472/4885CA2 2169/4885
US-20030087901-A1 Compounds and methods for modulation of estrogen receptors ESRRB, ESRRA, ESR2 TRPA1 785/4885CA1 1550/4885CA2 2505/4885
US-20040082575-A1 Compounds and methods for modulation of estrogen receptors ESRRB, ESRRA, ESR2 TRPA1 834/4885CA1 1566/4885CA2 2489/4885

“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.