SCHEMBL3284014

SCHEMBL3284014

Oc1ccc(Cl)cc1/C=C/c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.60
ABL1 P00519 1/20 0.59
ABCB1 P08183 1/20 0.59
BCR P11274 1/20 0.59
AR P10275 2/20 0.55
ERN1 O75460 1/20 0.53
MAOB P27338 1/20 0.51
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
HSP90AA1 P07900 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 2/20 0.49
TAAR1 Q96RJ0 1/20 0.49
PLAU P00749 1/20 0.47
PLAT P00750 1/20 0.47
PTPN1 P18031 1/20 0.46
HNF4A P41235 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
SCHEMBL3284015 1.00 TRPA1 (0.60) TRPA1ABL1ABCB1BCRAR
SCHEMBL331513 0.89 ABL1 (0.63) TRPA1ABL1ABCB1BCRAR
SCHEMBL331511 0.89 ABL1 (0.63) TRPA1ABL1ABCB1BCRAR
SCHEMBL27473548 0.85 TRPA1 (0.60) TRPA1ABL1ABCB1BCRAR
SCHEMBL23612301 0.83 ERN1 (0.55) TRPA1ABL1ABCB1BCRAR
SCHEMBL11103387 0.82 TRPA1 (0.67) TRPA1PTPN1HNF4AKDM4E
SCHEMBL11103388 0.82 TRPA1 (0.67) TRPA1PTPN1HNF4AKDM4E
SCHEMBL27817127 0.82 KMT2A (0.57) ABL1ABCB1BCRERN1GAA
SCHEMBL901262 0.81 ERN1 (0.53) ABL1ABCB1BCRARERN1
SCHEMBL901263 0.81 ERN1 (0.53) ABL1ABCB1BCRARERN1

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
EP-0049126-A1 Alpha-methyl-benzyl-chlorophenols and process for their preparation COALITE GROUP LIMITED (GB) 1982-04-07 EP claimed
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20060122243-A1 Antiallergic INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-06-08 US disclosed
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-11 US disclosed
EP-0049126-A1 Alpha-methyl-benzyl-chlorophenols and process for their preparation COALITE GROUP LIMITED (GB) 1982-04-07 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 (5 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-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 TRPA1 81/4885ABL1 4615/4885ABCB1 1721/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT TRPA1 135/4885ABL1 4542/4885ABCB1 1824/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 TRPA1 1159/4885ABL1 1451/4885ABCB1 1919/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR TRPA1 98/4885ABL1 4581/4885ABCB1 1835/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR TRPA1 102/4885ABL1 4553/4885ABCB1 1864/4885

“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.