SCHEMBL4881311

SCHEMBL4881311

ClCCC(CCCl)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
HRH1 P35367 4/20 0.42
TAAR1 Q96RJ0 2/20 0.41
HTR2A P28223 4/20 0.40
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
DPP4 P27487 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
F2 P00734 1/20 0.38
MTOR P42345 1/20 0.37
RAB9A P51151 1/20 0.37
GRM7 Q14831 1/20 0.37
AOC3 Q16853 3/20 0.37

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
SCHEMBL5478216 0.89 TSHR (0.36) TSHRHRH1TAAR1HTR2AKDM4E
SCHEMBL11745184 0.86 LMNA (0.45) TSHRHRH1TAAR1HTR2AKDM4E
SCHEMBL6173744 0.86 LMNA (0.45) TSHRHRH1TAAR1HTR2AKDM4E
SCHEMBL6175656 0.86 LMNA (0.45) TSHRHRH1TAAR1HTR2AKDM4E
SCHEMBL11748234 0.85 ALDH1A1 (0.44) HRH1TAAR1HTR2AKDM4EAOC3
Hydrochloric Acid SCHEMBL8987462 0.84 GABBR2 (0.50) TSHRHRH1TAAR1HTR2AGABBR2
SCHEMBL4314001 0.81 HRH1 (0.56) TSHRHRH1TAAR1HTR2ACYP1A2
SCHEMBL5598365 0.78 TSHR (0.48) TSHRHRH1TAAR1HTR2AGABBR2
SCHEMBL3218900 0.77 TSHR (0.48) TSHRHRH1TAAR1HTR2ADPP4
SCHEMBL8987427 0.77 MIF (0.40) TSHRHRH1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119874563-A Cyclic biperoxides, synthesis method and application thereof in preparation of alkyl difunctional compounds 西安交通大学 2025-04-25 CN disclosed
US-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 EP disclosed
US-5495022-A Piperidines and piperazines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-02-27 US disclosed
EP-0634398-A1 4-Phenylpiperidinyl-1/-piperazinyl-1-ethylsubstituted benzofusedheterocycles as antiarrhythmic agents MERCK PATENT GmbH (DE) 1995-01-18 EP 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 TSHR 538/4885HRH1 973/4885TAAR1 1339/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 TSHR 836/4885HRH1 234/4885TAAR1 327/4885

“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.