SCHEMBL3488296

SCHEMBL3488296

ClCCCCOCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
NAAA Q02083 2/20 0.43
KCNA3 P22001 2/20 0.43
KCNA5 P22460 1/20 0.42
IDO1 P14902 1/20 0.41
GBA1 P04062 2/20 0.41
UGCG Q16739 2/20 0.41
GBA2 Q9HCG7 2/20 0.41
EPHX2 P34913 1/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL10826161 0.98 L3MBTL1 (0.54) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL10825883 0.98 L3MBTL1 (0.54) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL3289641 0.98 L3MBTL1 (0.54) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL6941525 0.98 L3MBTL1 (0.54) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL31018369 0.94 L3MBTL1 (0.51) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL1001167 0.94 TSHR (0.58) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL31018373 0.93 L3MBTL1 (0.50) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL8998380 0.92 TSHR (0.56) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL14673636 0.90 TSHR (0.50) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL2640223 0.89 TSHR (0.70) TSHRL3MBTL1TDP1HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119331511-A Environment-friendly bidirectional three-dimensional waterproof moisture-permeable film spreading material and preparation method thereof 诸暨市捷达新材料有限公司 2025-01-21 CN claimed
CN-119331511-A Environment-friendly bidirectional three-dimensional waterproof moisture-permeable film spreading material and preparation method thereof 诸暨市捷达新材料有限公司 2025-01-21 CN disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US 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
WO-2002030897-A2 COMPOSITIONS AND METHODS FOR REGULATING THE NERVOUS SYSTEM FILLION GILLES (FR) 2002-04-18 WO 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
US-4866206-A INHIBITORS OF ORNITHINE DECARBOXYLASE MERRELL DOW FRANCE ET CIE (FR) 1989-09-12 US disclosed
US-4743691-A INHIBITORS OF ORNITHINE DECARBOXYLASE MERRELL DOW FRANCE ET CIE (FR) 1988-05-10 US disclosed
EP-0046710-B1 PREPARATION OF AMINOACETONITRILE DERIVATIVES MERRELL TORAUDE ET COMPAGNIE (FR) 1984-06-13 EP disclosed
US-4405530-A Process for preparing fluorinated amino-nitriles MERRELL TORAUDE ET COMPAGNIE (FR) 1983-09-20 US disclosed
EP-0046710-A1 Preparation of aminoacetonitrile derivatives MERRELL TORAUDE ET COMPAGNIE (FR) 1982-03-03 EP disclosed
US-4174458-A Novel analogues of prostanoic acids not occurring in nature HOECHST AKTIENGESELLSCHAFT (DE) 1979-11-13 US disclosed
US-4098815-A BRONCHODILATOR AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1978-07-04 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 (2 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 TSHR 4411/4885L3MBTL1 1139/4885TDP1 210/4885
US-20100094000-A1 PYRAZOLE COMPOUNDS NR3C2, MC2R, NR3C1 TSHR 75/4885L3MBTL1 3052/4885TDP1 4718/4885

“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.