SCHEMBL3789653

SCHEMBL3789653

Clc1ccccc1C1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
RECQL P46063 1/20 0.53
OPRL1 P41146 3/20 0.46
ADRA1A P35348 2/20 0.44
FFAR2 O15552 1/20 0.43
CEL P19835 2/20 0.42
DPP4 P27487 1/20 0.42
ADRA1B P35368 2/20 0.42
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL2316090 0.98 TP53 (0.52) TP53RECQLOPRL1ADRA1AFFAR2
SCHEMBL3784740 0.95 TP53 (0.53) TP53RECQLOPRL1ADRA1AFFAR2
SCHEMBL1897406 0.90 TP53 (0.57) TP53RECQLOPRL1ADRA1ADPP4
Charcoal, Activated SCHEMBL5897477 0.88 TP53 (0.55) TP53RECQLOPRL1ADRA1ADPP4
Acetonitrile SCHEMBL28780186 0.87 TP53 (0.43) TP53RECQLOPRL1ADRA1AFFAR2
SCHEMBL4065015 0.82 TP53 (0.50) TP53RECQLOPRL1ADRA1ADPP4
SCHEMBL779938 0.82 CHRNB4 (0.46) CELHTR1AHTR2C
SCHEMBL20178459 0.80 OPRL1 (0.59) TP53RECQLOPRL1ADRA1ADPP4
SCHEMBL8747411 0.80 TP53 (0.53) TP53RECQLOPRL1FFAR2HTR2A
SCHEMBL16233612 0.80 TP53 (0.48) TP53RECQLOPRL1ADRA1ADPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
EP-1064262-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS CYCLIC GMP MODULATORS IN MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2001-01-03 EP disclosed
WO-1999042444-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS CYCLIC GMP MODULATORS IN MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-08-26 WO disclosed
US-4538003-A TREATMENT WITH MAGNESIUM OR ZINC ORGANOMETALLIC REAGENTS IN PRESENE OF A NICKEL BIDENTATE OR TRIDENTATE PHOSPHOROUS LIGAND E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-08-27 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 TP53 2819/4885RECQL 1576/4885OPRL1 3833/4885

“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.