SCHEMBL6946256

SCHEMBL6946256

CCCCN(CCCC)CCCCCl

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
ALDH1A1 P00352 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 1/20 0.39
KDM5A P29375 3/20 0.38
LMNA P02545 1/20 0.38
DNM1 Q05193 3/20 0.38
KCNH2 Q12809 1/20 0.37
PHF8 Q9UPP1 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL6945510 0.97 TSHR (0.60) TSHRALDH1A1TDP1MAPTKDM5A
SCHEMBL6061703 0.97 TSHR (0.58) TSHRALDH1A1TDP1MAPTKDM5A
SCHEMBL1879456 0.94 TSHR (0.63) TSHRALDH1A1TDP1MAPTKDM5A
SCHEMBL1884965 0.94 TSHR (0.63) TSHRALDH1A1TDP1MAPTKDM5A
SCHEMBL1885053 0.94 TSHR (0.63) TSHRALDH1A1TDP1MAPTKDM5A
SCHEMBL1883604 0.92 TSHR (0.68) TSHRALDH1A1TDP1KDM5ALMNA
SCHEMBL28337020 0.92 TSHR (0.68) TSHRALDH1A1TDP1KDM5ALMNA
SCHEMBL1885691 0.92 TSHR (0.68) TSHRALDH1A1TDP1KDM5ALMNA
SCHEMBL282416 0.92 TSHR (0.56) TSHRALDH1A1TDP1MAPTKDM5A
Bromide SCHEMBL5550586 0.90 TSHR (0.65) TSHRALDH1A1TDP1KDM5ADNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113896890-B Polyimide slurry and polyimide film 苏州尊尔光电科技有限公司 2023-05-02 CN claimed
CN-106832603-A A kind of antibacterial atactic polypropylene water-feeding pipes and its production method 北京崇高纳米科技有限公司 2017-06-13 CN claimed
CN-113896890-B Polyimide slurry and polyimide film 苏州尊尔光电科技有限公司 2023-05-02 CN disclosed
CN-106832603-A A kind of antibacterial atactic polypropylene water-feeding pipes and its production method 北京崇高纳米科技有限公司 2017-06-13 CN disclosed
CN-101010323-B Bicyclononene derivatives as renin inhibitors ACTELION PHARMACEUTICALS LTD 2010-06-16 CN disclosed
CN-101010323-A Bicyclononene derivatives as renin inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2007-08-01 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
WO-1999043675-A1 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 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.