SCHEMBL661595

SCHEMBL661595

CC(C)c1cc(N=C=O)cc(C(C)C)c1N=C=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
TRPA1 O75762 1/20 0.37
GABRA1 P14867 2/20 0.35
GABRB2 P47870 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GABRB1 P18505 1/20 0.30

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
SCHEMBL221941 0.85 CA1 (0.43) CYP3A4TRPA1GABRA1GABRB2TDP1
SCHEMBL16779903 0.83 GABRA1 (0.35) CYP3A4TRPA1GABRA1GABRB2GABRB1
SCHEMBL3675026 0.83 FABP4 (0.44) GABRA1GABRB2ALDH1A1GABRB1
SCHEMBL7145360 0.83 GABRA1 (0.48) GABRA1GABRB2GABRB1
SCHEMBL20635011 0.82 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL6866102 0.82 GABRA1 (0.47) GABRA1GABRB2MAPK1TDP1GABRB1
SCHEMBL403988 0.80 CYP3A4 (0.39) CYP3A4GABRA1GABRB2TSHR
SCHEMBL24891310 0.79 CYP3A4 (0.38) CYP3A4TRPA1GABRA1GABRB2MAPK1
SCHEMBL194319 0.79 GABRA1 (0.35) GABRA1GABRB2GABRB1
SCHEMBL16779895 0.79 GABRA1 (0.44) CYP3A4GABRA1GABRB2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3470452-B1 METHOD FOR MANUFACTURING CAST POLYAMIDES LANXESS DEUTSCHLAND GMBH (DE) 2021-05-19 EP claimed
US-9738755-B2 Molding polyamides, methods for the production thereof, and use thereof LANXESS DEUTSCHLAND GMBH (DE) 2017-08-22 US disclosed
US-9452975-B2 Biobased carbodiimides, a process for preparation thereof and use thereof RHEIN CHEMIE RHEINAU GMBH (DE) 2016-09-27 US disclosed
US-9428611-B2 Catalysts for producing cast polyamide, method for the production of said catalysts and the use thereof RHEIN CHEMIE RHEINAU GMBH (DE) 2016-08-30 US disclosed
US-9321879-B2 Methods for controlling (extending) the pot life in chain-extended polyurethane (PU)-based systems Rhein Chemie Rheinau, GmbH (DE) 2016-04-26 US disclosed
US-20150322204-A1 CATALYSTS FOR PRODUCING CAST POLYAMIDE, METHOD FOR THE PRODUCTION OF SAID CATALYSTS AND THE USE THEREOF LANXESS DEUTSCHLAND GMBH (DE) 2015-11-12 US disclosed
US-20150218314-A1 MOLDING POLYAMIDES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF RHEIN CHEMIE RHEINAU GMBH (DE) 2015-08-06 US disclosed
US-20150126688-A1 METHODS FOR CONTROLLING (EXTENDING) THE POT LIFE IN CHAIN-EXTENDED POLYURETHANE (PU)-BASED SYSTEMS LANXESS DEUTSCHLAND GMBH (DE) 2015-05-07 US disclosed
US-20140323754-A1 BIOBASED CARBODIIMIDES, A PROCESS FOR PREPARATION THEREOF AND USE THEREOF RHEIN CHEMIE RHEINAU GMBH (DE) 2014-10-30 US disclosed
US-20140225032-A1 METHOD OF PRODUCTION OF CAST POLYAMIDES RHEIN CHEMIE RHEINAU GMBH (DE) 2014-08-14 US disclosed
EP-2256165-A1 RESIN COMPOSITION AND MOLDED ARTICLE Teijin Limited (JP) 2010-12-01 EP disclosed
US-20100182694-A1 FILM TEIJIN LIMITED (JP) 2010-07-22 US disclosed
EP-2189493-A1 FILM Teijin Limited (JP) 2010-05-26 EP disclosed
US-20100093888-A1 POLYLACTIC ACID COMPOSITION TEIJIN LIMITED (JP) 2010-04-15 US disclosed
US-20090306332-A1 PREPARATION OF CAST POLYAMIDES USING SPECIAL ACTIVATORS RHEIN CHEMIE RHEINAU GMBH (DE) 2009-12-10 US disclosed
EP-2116576-A1 POLYLACTIC ACID COMPOSITION Teijin Limited (JP) 2009-11-11 EP disclosed
CN-101538364-A Preparation of cast polyamides using special activators RHEIN CHEMIE RHEINAU GMBH 2009-09-23 CN disclosed
EP-2053091-A1 RESIN COMPOSITION, METHOD FOR PRODUCING THE SAME AND MOLDED ARTICLE TEIJIN LIMITED (JP) 2009-04-29 EP disclosed
EP-0658639-B1 Multifilament yarn having high resistance to hydrolysis and aminolysis made from a polyester on the basis of poly(1,4-bis-methylene cyclohexane terephthalate) and process for its production ARTEVA TECH SARL (CH) 2001-03-21 EP disclosed
US-5518813-A HYDROLYSIS AND AMMONOLYSIS RESISTANT HOECHST AKTINEGESELLSCHAFT (DE) 1996-05-21 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 (1 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-20140323754-A1 BIOBASED CARBODIIMIDES, A PROCESS FOR PREPARATION THEREOF AND USE THEREOF OTUB1, CBR3, BBOX1 CYP3A4 69/4885TRPA1 4145/4885GABRA1 882/4885

“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.