SCHEMBL8499269

SCHEMBL8499269

CNC1CC(C)(C)CC(C)(CN)C1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
PBK Q96KB5 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL22212777 0.90 TSHR (0.37) TSHRPBKALDH1A1CYP3A4
SCHEMBL16295541 0.86 TSHR (0.39) TSHRPBKALDH1A1CYP3A4
SCHEMBL1832852 0.84 TSHR (0.38) TSHRPBKALDH1A1CYP3A4
SCHEMBL4641340 0.82 TSHR (0.37) TSHRPBKALDH1A1CYP3A4
SCHEMBL13397481 0.82 TSHR (0.39) TSHR
SCHEMBL8502554 0.81 TSHR (0.36) TSHRPBK
SCHEMBL22211120 0.80 TSHR (0.45) TSHR
SCHEMBL65142 0.80 TSHR (0.45) TSHR
SCHEMBL5599217 0.79 TSHR (0.36) TSHRPBK
SCHEMBL15373389 0.79 TSHR (0.39) TSHRPBK

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5504254-A REACTING ISOPHORONITRILE AND AMMONIA IN A SOLVENT WITH HYDROGEN AND A HYDROGENATION CATALYST IN A TRICKLE BED REACTOR DEGUSSA AKTIENGESELLSCHAFT (DE) 1996-04-02 US claimed
US-20220002235-A1 METHOD FOR PREPARING ISOPHORONE DIISOCYANATE WANHUA CHEMICAL GROUP CO., LTD. (CN) 2022-01-06 US disclosed
WO-2020124622-A1 METHOD FOR PREPARING ISOPHORONE DIISOCYANATE 万华化学集团股份有限公司 2020-06-25 WO disclosed
US-20170288144-A1 ALL SOLID STATE SECONDARY BATTERY, SOLID ELECTROLYTE COMPOSITION USED THEREFOR, ELECTRODE SHEET FOR BATTERY, AND METHOD FOR MANUFACTURING ELECTRODE SHEET FOR BATTERY AND ALL SOLID STATE SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2017-10-05 US disclosed
EP-2821429-B1 Siloxane polymers with central polysiloxane polymer block with urea and/or carbamate groups and amino acid residues with terminal organofunctional residues EVONIK DEGUSSA GMBH (DE) 2017-03-22 EP disclosed
EP-2821430-A1 Siloxane polymers with central polysiloxane polymer block with organofunctional residues, each comprising at least two bivalent groups selected from urea and/or carbamate groups and at least one UV/Vis chromophore as residue Evonik Industries AG (DE) 2015-01-07 EP disclosed
EP-2821429-A1 Siloxane polymers with central polysiloxane polymer block with urea and/or carbamate groups and amino acid residues with terminal organofunctional residues Evonik Industries AG (DE) 2015-01-07 EP disclosed
EP-1425096-B1 METHOD FOR THE PRODUCTION OF ISOPHORONDIAMINE (IPDA, 3-AMINOMETHYL-3,5,5-TRIMETHYLCYCLOHEXYLAMINE) BASF SE (DE) 2009-10-14 EP disclosed
EP-2014697-A2 Resin for optical semiconductor element encapsulation containing polyimide Nitto Denko Corporation (JP) 2009-01-14 EP disclosed
US-7256313-B2 Method for the production of isophorondiamine (ipda, 3-aminomethyl-3,5,5-trimethyl- cyclohexylamine) having a high cis/tran-isomer ratio BASF AKTIENGESELLSCHAFT (DE) 2007-08-14 US disclosed
US-7256313-B2 Method for the production of isophorondiamine (ipda, 3-aminomethyl-3,5,5-trimethyl- cyclohexylamine) having a high cis/tran-isomer ratio BASF AKTIENGESELLSCHAFT (DE) 2007-08-14 US disclosed
EP-0558048-B1 Thermoplastic resin composition IDEMITSU PETROCHEMICAL CO (JP) 1999-07-07 EP disclosed
EP-0558047-B1 Copolymer having amino group and process for production thereof DAI ICHI KOGYO SEIYAKU CO LTD (JP) 1998-05-20 EP disclosed
EP-0659734-B1 Process for the preparation of 3-aminomethyl-3,5,5-trimethylcyclohexylamine DEGUSSA (DE) 1997-03-19 EP disclosed
US-5552480-A BLEND, IMIDIZED ADDITION POLYMER, ENGINEERING PLASTIC, IMPACT STRENGTH IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1996-09-03 US disclosed
US-5504254-A REACTING ISOPHORONITRILE AND AMMONIA IN A SOLVENT WITH HYDROGEN AND A HYDROGENATION CATALYST IN A TRICKLE BED REACTOR DEGUSSA AKTIENGESELLSCHAFT (DE) 1996-04-02 US disclosed
CN-1109127-A Paper coating composition SUMITOMO CHEMICAL CO (JP) 1995-09-27 CN disclosed
EP-0659734-A1 Process for the preparation of 3-aminomethyl-3,5,5-trimethylcyclohexylamine Degussa Aktiengesellschaft (DE) 1995-06-28 EP disclosed
EP-0558047-A2 Copolymer having amino group and process for production thereof DAI-ICHI KOGYO SEIYAKU Co., Ltd. (JP) 1993-09-01 EP disclosed
EP-0558048-A1 Thermoplastic resin composition IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) 1993-09-01 EP 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-20220002235-A1 METHOD FOR PREPARING ISOPHORONE DIISOCYANATE CAT, IDE, DNPH1 TSHR 3826/4885PBK 4766/4885ALDH1A1 1177/4885

“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.