SCHEMBL867076

SCHEMBL867076

Br[CH]CCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
CASP1 P29466 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SIGMAR1 Q99720 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 2/20 0.48
HTR2A P28223 1/20 0.48
IDO1 P14902 1/20 0.46
HDAC3 O15379 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
HDAC4 P56524 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46

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
SCHEMBL4889342 0.93 MAOA (0.54) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL4886794 0.91 SIGMAR1 (0.54) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL4892662 0.87 ALDH1A1 (0.55) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL4896504 0.83 HDAC3 (0.50) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL3334933 0.82 SIGMAR1 (0.52) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL11774828 0.79 HDAC3 (0.47) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL11774835 0.79 HDAC3 (0.47) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL430012 0.78 SIGMAR1 (0.54) SIGMAR1MAOAMAOBADRA1ASLC6A3
SCHEMBL364434 0.78 SIGMAR1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL3591598 0.78 HDAC3 (0.50) ALOX15SIGMAR1TDP1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077844-A1 USE OF PIPERIDINE DERIVATIVES AS DERMO-DECONTRACTING AGENTS L'OREAL (FR) 2012-03-29 US disclosed
US-20100048624-A1 USE OF PIPERIDINE DERIVATIVES AS DERMO-DECONTRACTING AGENTS L'OREAL (FR) 2010-02-25 US disclosed
US-7629359-B2 Use of piperidine derivatives as dermo-decontracting agents L'OREAL (FR) 2009-12-08 US disclosed
EP-1765281-B1 USE OF PIPERIDINE DERIVATIVES AS DERMO-DECONTRACTING AGENTS OREAL (FR) 2008-08-27 EP disclosed
US-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC 2008-08-14 US disclosed
US-20070259915-A1 Use of Piperidine Derivatives as Dermo-Decontracting Agents L'OREAL (FR) 2007-11-08 US disclosed
EP-1765281-A1 USE OF PIPERIDINE DERIVATIVES AS DERMO-DECONTRACTING AGENTS L'OREAL (FR) 2007-03-28 EP disclosed
WO-2006003030-A1 USE OF PIPERIDINE DERIVATIVES AS DERMO-DECONTRACTING AGENTS L'OREAL (FR) 2006-01-12 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 (4 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-20120077844-A1 USE OF PIPERIDINE DERIVATIVES AS DERMO-DECONTRACTING AGENTS PLOD3, CUTA, DSTN ALDH1A1 429/4885HPGD 703/4885ALOX15 343/4885
US-20070259915-A1 Use of Piperidine Derivatives as Dermo-Decontracting Agents CUTA, PLOD3, PLIN5 ALDH1A1 443/4885HPGD 728/4885ALOX15 341/4885
US-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFKP, PF4, P2RY4 ALDH1A1 1204/4885HPGD 1749/4885ALOX15 3326/4885
US-20100048624-A1 USE OF PIPERIDINE DERIVATIVES AS DERMO-DECONTRACTING AGENTS PLOD3, CUTA, DSTN ALDH1A1 429/4885HPGD 703/4885ALOX15 343/4885

“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.