SCHEMBL564937

SCHEMBL564937

ClCc1cc2c(Cl)cc(Cl)cc2o1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 13/20 0.40
S1PR1 P21453 1/20 0.35
F2RL3 Q96RI0 3/20 0.35
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
RECQL P46063 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL566315 0.82 S1PR1 (0.39) AHRS1PR1F2RL3ALDH1A1RECQL
SCHEMBL10139327 0.71 AHR (0.46) AHRF2RL3ALDH1A1MCL1
SCHEMBL566657 0.71 AHR (0.43) AHR
SCHEMBL21355070 0.68 CA12 (0.44) AHR
SCHEMBL16345372 0.65 AHR (0.34) AHR
SCHEMBL17193877 0.65 NPC1 (0.36) AHRF2RL3HPGD
SCHEMBL16345100 0.65 MCL1 (0.51) AHRMCL1
SCHEMBL9663355 0.65 AHR (0.35) AHR
SCHEMBL16708179 0.65 MCL1 (0.50) AHRF2RL3ALDH1A1KDM4EHPGD
SCHEMBL18325887 0.64 MCL1 (0.50) AHRALDH1A1KDM4ECASP1CASP7

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-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 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 (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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 AHR 1625/4885S1PR1 1/4885F2RL3 193/4885

“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.