SCHEMBL6948550

SCHEMBL6948550

CCCN(CCC)CCCCl

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.40
HRH3 Q9Y5N1 1/20 0.36
MAPT P10636 2/20 0.32
BCHE P06276 1/20 0.32
TP53 P04637 1/20 0.30
HTT P42858 1/20 0.30
HBB P68871 1/20 0.30

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
Hydrochloric Acid SCHEMBL7371392 0.97 TSHR (0.45) TSHRTDP1ALDH1A1LMNAHRH3
SCHEMBL6948121 0.92 TSHR (0.48) TSHRTDP1ALDH1A1LMNAHRH3
SCHEMBL14395271 0.90 TSHR (0.55) TSHRTDP1ALDH1A1
SCHEMBL6942252 0.89 TSHR (0.52) TSHRTDP1ALDH1A1LMNAHRH3
SCHEMBL11872473 0.89 TSHR (0.52) TSHRTDP1ALDH1A1LMNAHRH3
SCHEMBL12334526 0.89 TSHR (0.43) TSHRTDP1ALDH1A1HRH3
SCHEMBL282416 0.88 TSHR (0.56) TSHRTDP1ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL6139434 0.86 TSHR (0.53) TSHRTDP1ALDH1A1LMNAMAPT
SCHEMBL11835178 0.86 TSHR (0.53) TSHRTDP1ALDH1A1LMNAMAPT
SCHEMBL7681688 0.86 TSHR (0.55) TSHRTDP1ALDH1A1LMNAMAPT

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110167977-B Conjugated diene polymer, conjugated diene polymer composition, and tire 日本弹性体株式会社 2021-11-16 CN disclosed
CN-109476778-B Modified conjugated diene polymer, modified conjugated diene polymer composition, tire, and method for producing modified conjugated diene polymer 日本弹性体株式会社 2021-05-11 CN disclosed
CN-107250172-B Modified conjugated diene polymer, method for producing same, and modified conjugated diene polymer composition 旭化成株式会社 2021-04-09 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
EP-0928809-B1 POLYSACCHARIDE DERIVATIVE/MAGNETIC METAL OXIDE COMPOSITE MEITO SANGYO KK (JP) 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
US-6165378-A Polysaccharide derivative/magnetic metal oxide composite MEITO SANGYO KABUSHIKI KAISHA (JP) 2000-12-26 US disclosed
EP-1056744-A1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 EP disclosed
EP-0114410-B1 SUBSTITUTED ALPHA-(ETHYL)-ALPHA-(PHENYL)-(OMEGA-(DIALKYLAMINO)-ALKOXY)-BENZYL ALCOHOLS, THEIR ACID ADDITION SALTS AND QUATERNARY SALTS, PROCESS FOR THEIR PREPARATION, AS WELL AS MEDICINES CONTAINING THESE COMPOUNDS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1986-05-14 EP disclosed
EP-0179492-A2 Heat-sensitive recording material KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1986-04-30 EP disclosed
EP-0114410-A1 Substituted alpha-(ethyl)-alpha-(phenyl)-(omega-(dialkylamino)-alkoxy)-benzyl alcohols, their acid addition salts and quaternary salts, process for their preparation, as well as medicines containing these compounds RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1984-08-01 EP disclosed
US-4117128-A SULFONYL BENZOFURANS AND BENZOTHIOPHENES HAVING CORONARY VASODILATOR ACTIVITY SMITHKLINE CORPORATION (US) 1978-09-26 US disclosed
US-4075202-A S-TRIAZOLO-1,5-BENZODIAZPINE-4-ONES THE UPJOHN COMPANY (US) 1978-02-21 US disclosed
US-4048322-A Bronchially effective xanthene-9-carboxylates RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1977-09-13 US disclosed
US-4044146-A CHOLINOLYTIC, BRONCHOSPASMOLYTIC RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1977-08-23 US disclosed
US-4024273-A Coronary vasodilator and anti-anginal compositions comprising substituted benzofurans and benzothiophenes and methods of producing coronary vasodilation and anti-anginal activity SMITHKLINE CORPORATION (US) 1977-05-17 US disclosed
US-4021557-A BRONCHOSPASMOLYTICS BOEHRINGER INGELHEIM GMBH (DT) 1977-05-03 US disclosed
US-3947470-A CORONARY VASODILATORS, TREATMENT OF ANGINA PECTORIS SMITHKLINE CORPORATION (US) 1976-03-30 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 TSHR 4411/4885TDP1 210/4885ALDH1A1 2147/4885

“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.