SCHEMBL6944890

SCHEMBL6944890

Oc1ccccc1CCCl

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.60
HSPA5 P11021 1/20 0.56
MPO P05164 4/20 0.52
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
HIF1A Q16665 1/20 0.50
HTR1A P08908 1/20 0.48
SLC6A4 P31645 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
AKR1B1 P15121 1/20 0.48
IDO1 P14902 2/20 0.46
CA12 O43570 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 1/20 0.45
KEAP1 Q14145 1/20 0.45
MGLL Q99685 1/20 0.44

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
SCHEMBL4100011 0.86 TAAR1 (0.56) TAAR1HSPA5MPOCYP2D6TSHR
SCHEMBL11208340 0.84 TAAR1 (0.54) TAAR1HSPA5MPOCYP2D6TSHR
SCHEMBL29706272 0.84 TAAR1 (0.71) TAAR1HSPA5MPOCYP2D6TSHR
SCHEMBL1222973 0.84 TAAR1 (0.71) TAAR1HSPA5MPOCYP2D6TSHR
SCHEMBL29127699 0.82 MGLL (0.56) TAAR1HSPA5MPOCYP2D6TSHR
SCHEMBL30081968 0.82 MGLL (0.56) TAAR1HSPA5MPOCYP2D6TSHR
SCHEMBL30081969 0.82 MGLL (0.56) TAAR1HSPA5MPOCYP2D6TSHR
SCHEMBL30695738 0.82 MGLL (0.56) TAAR1HSPA5MPOCYP2D6TSHR
SCHEMBL29706378 0.81 TAAR1 (0.68) TAAR1HSPA5MPOCYP2D6TSHR
SCHEMBL28445878 0.81 IAPP (0.55) TAAR1HSPA5CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1145353-A Epoxy resin, resin composition, and resin-encapsulated semiconductor device SUMITOMO CHEMICAL CO (JP) 1997-03-19 CN claimed
JP-7033701-A None JP disclosed
CN-109651094-A A kind of preparation method of p- (2- methoxyl group) ethyl -phenol 浙江永太科技股份有限公司 2019-04-19 CN disclosed
CN-1143858-C 6, 9-disubstituted 2- [ trans- (aminocyclohexyl) amino ] purines, compositions and uses thereof ������ҩ�����޹�˾ 2004-03-31 CN disclosed
US-6642231-B2 Antineoplastic agents, treatment for neuronal injury and degeneration AVENTIS PHARMACEUTICALS INC. 2003-11-04 US disclosed
EP-1056744-B1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMA INC (US) 2003-10-22 EP disclosed
US-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AVENTISUB II INC. 2003-06-05 US disclosed
US-6479487-B1 INHIBIT CYCLIN DEPENDENT KINASES, PARTICULARLY CDK-2; ANTIAPOPTOSIS AGENT; INHIBITS DEVELOPMENT OF NEOPLASMS AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
CN-1292789-A 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AWANDIS PHARMACEUTICAL CORP (US) 2001-04-25 CN disclosed
EP-1056744-A1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 EP disclosed
WO-1999043675-A1 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 WO disclosed
CN-1145353-A Epoxy resin, resin composition, and resin-encapsulated semiconductor device SUMITOMO CHEMICAL CO (JP) 1997-03-19 CN disclosed
JP-H0733701-A T-BUTOXYPHENETHYL CHLORIDE AND ITS PRODUCTION HOKKO CHEM IND CO LTD 1995-02-03 JP disclosed
US-4058566-A Separation of isomers of phenols and phenolic ethers UOP INC. (US) 1977-11-15 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-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines CDK6, CDK5, CDK2 TAAR1 3404/4885HSPA5 3992/4885MPO 3823/4885

“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.