SCHEMBL6945358

SCHEMBL6945358

CCCCOCCCCCl

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
ALDH1A1 P00352 2/20 0.55
TDP1 Q9NUW8 2/20 0.53
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
CYP3A4 P08684 2/20 0.44
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CES2 O00748 1/20 0.38
HPGD P15428 1/20 0.38
USP2 O75604 1/20 0.35
NR5A1 Q13285 1/20 0.35

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
SCHEMBL19101862 0.97 TSHR (0.60) TSHRALDH1A1TDP1MEN1THRB
SCHEMBL6949343 0.97 TSHR (0.60) TSHRALDH1A1TDP1MEN1THRB
SCHEMBL6949049 0.97 TSHR (0.60) TSHRALDH1A1TDP1MEN1THRB
SCHEMBL19101904 0.97 TSHR (0.60) TSHRALDH1A1TDP1MEN1THRB
SCHEMBL18772504 0.95 TSHR (0.57) TSHRALDH1A1TDP1MEN1THRB
SCHEMBL17762696 0.94 TSHR (0.63) TSHRALDH1A1TDP1MEN1THRB
SCHEMBL6144629 0.92 TSHR (0.68) TSHRALDH1A1TDP1MEN1THRB
SCHEMBL31105619 0.92 TSHR (0.68) TSHRALDH1A1TDP1MEN1THRB
SCHEMBL6145292 0.92 TSHR (0.68) TSHRALDH1A1TDP1MEN1THRB
SCHEMBL29283282 0.92 TSHR (0.68) TSHRALDH1A1TDP1MEN1THRB

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
CN-115850025-A Method for dechlorinating polyvinyl chloride and preparing micromolecular chlorohydrocarbon 华东理工大学 2023-03-28 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
EP-1056744-A1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 EP disclosed
US-5972241-A ELECTROOPTICAL APPLICATIONS, IN PARTICULAR THOSE WHICH REQUIRE COMPACT, ENERGY-EFFICIENT, VOLTAGE-CONTROLLED LIGHT VALVES, E.G., WATCHES AND COMPUTERS 3M INNOVATIVE PROPERTIES COMPANY (US) 1999-10-26 US disclosed
WO-1999043675-A1 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 WO disclosed
US-5928562-A HAVING EXTENDED HYDROCARBON ETHER GROUP ADJACENT TO A TERMINAL FLUOROALKYL OR FLUOROETHER GROUP; LOW VISCOSITY; HIGH SPEED RESPONSE; BRIGHTNESS; COMMPATIBILITY; DISPLAYS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-07-27 US disclosed
EP-0746572-B1 NEW FUNCTIONALIZED INITIATORS FOR ANIONIC POLYMERIZATION FMC CORP (US) 1999-04-28 EP disclosed
US-5827929-A Functionalized initiators for anionic polymerization FMC CORPORATION (US) 1998-10-27 US disclosed
US-5792815-A CONJUGATED POLYENE OR ALKENYL SUBSTITUTED ARYL HYDROCARBON POLYMERS; MOLDING MATERIALS FMC CORPORATION (US) 1998-08-11 US disclosed
WO-1997024377-A1 FUNCTIONALIZED INITIATORS FOR ANIONIC POLYMERIZATION FMC CORPORATION (US) 1997-07-10 WO disclosed
US-5621149-A REACTING AN OMEGA-PROTECTED-1-HALOALKYL WITH AN ALKALI METAL DISPERSION IN AN INERT HYDROCARBON SOLVENT FMC CORPORATION (US) 1997-04-15 US disclosed
EP-0746572-A4 NEW FUNCTIONALIZED INITIATORS FOR ANIONIC POLYMERIZATION FMC CORP (US) 1997-03-26 EP disclosed
US-5600021-A ORGANOMETALLIC COMPOUND CONTAINING ETHER GROUP FMC CORPORATION (US) 1997-02-04 US disclosed
EP-0746572-A1 NEW FUNCTIONALIZED INITIATORS FOR ANIONIC POLYMERIZATION FMC CORPORATION (US) 1996-12-11 EP disclosed
US-5567774-A USING SODIUM, POTASSIUM, OR LITHIUM HYDROCARBYL ETHER COMPOUNDS AS INITIATORS FMC CORPORATION (US) 1996-10-22 US disclosed
WO-1995022566-A1 NEW FUNCTIONALIZED INITIATORS FOR ANIONIC POLYMERIZATION FMC CORPORATION (US) 1995-08-24 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 (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 TSHR 4411/4885ALDH1A1 2147/4885TDP1 210/4885

“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.