SCHEMBL20178459

SCHEMBL20178459

Clc1ccccc1C1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.59
TP53 P04637 1/20 0.48
RECQL P46063 1/20 0.48
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
ADRA1A P35348 2/20 0.41
TAAR1 Q96RJ0 1/20 0.40
ADRA1D P25100 1/20 0.39
ADRA1B P35368 1/20 0.39
DPP4 P27487 1/20 0.39
TRPV6 Q9H1D0 1/20 0.38
CYP2A13 Q16696 1/20 0.38

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
SCHEMBL1897406 0.84 TP53 (0.57) OPRL1TP53RECQLHTR2AHTR2C
Charcoal, Activated SCHEMBL5897477 0.82 TP53 (0.55) OPRL1TP53RECQLHTR2AHTR2C
SCHEMBL3784740 0.80 TP53 (0.53) OPRL1TP53RECQLHTR2AHTR2C
SCHEMBL3789653 0.80 TP53 (0.53) OPRL1TP53RECQLHTR2AHTR2C
SCHEMBL2316090 0.78 TP53 (0.52) OPRL1TP53RECQLADRA1AADRA1D
Cyanide SCHEMBL27463529 0.78 TP53 (0.52) OPRL1TP53RECQLHTR2AHTR2C
SCHEMBL14685880 0.77 TP53 (0.47) OPRL1TP53RECQLHTR2AHTR2C
SCHEMBL4065015 0.77 TP53 (0.50) OPRL1TP53RECQLHTR2AHTR2C
SCHEMBL23974476 0.76 OPRL1 (1.00) OPRL1
SCHEMBL16233612 0.75 TP53 (0.48) OPRL1TP53RECQLHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11952376-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2024-04-09 US claimed
CN-118206514-A Reaction method for preparing olefin by deacylation of visible light induced ketone 国科大杭州高等研究院 2024-06-18 CN disclosed
US-9981910-B2 Substituted pyrrolidines and methods of use ABBVIE S.Á.R.L. (LU) 2018-05-29 US disclosed
CN-105669688-A Method for preparing hexahydropyrano-pyrimidone derivative by Br nsted acid ion liquid catalysis 安徽工业大学 2016-06-15 CN 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-11952376-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 OPRL1 1057/4885TP53 2656/4885RECQL 4829/4885

“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.