SCHEMBL6009787

SCHEMBL6009787

CCCCCC1CCC1(C(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
S1PR3 Q99500 4/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.36
S1PR1 P21453 2/20 0.36
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR5 Q9H228 1/20 0.36
AKR1B1 P15121 1/20 0.34
ARG1 P05089 3/20 0.34
ARG2 P78540 2/20 0.34
PRCP P42785 1/20 0.34
TSHR P16473 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL27812725 0.86 TDP1 (0.39) ALOX5S1PR3ALDH1A1TDP1ARG1
SCHEMBL28875040 0.82 TDP1 (0.44) ALDH1A1TDP1ARG1ARG2PRCP
SCHEMBL28317712 0.81 ARG1 (0.36) ARG1ARG2
SCHEMBL28317710 0.79 ARG1 (0.35) ARG1ARG2
SCHEMBL28023532 0.79 ALOX5 (0.41) ALOX5S1PR3ALDH1A1TDP1TSHR
SCHEMBL4406432 0.78 ALDH1A1 (0.37) ALDH1A1
SCHEMBL9957648 0.73 ALOX5 (0.39) ALOX5S1PR3ALDH1A1ARG1ARG2
SCHEMBL31405356 0.73 ARG1 (0.37) ALOX5TDP1ARG1ARG2
SCHEMBL11214435 0.70 ALOX5 (0.40) ALOX5S1PR3ALDH1A1AKR1B1
SCHEMBL11136787 0.70 GRM2 (0.53) ARG1ARG2

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
EP-1453783-B1 SUBSTITUTED ARYL-CYCLOALKANES, AND USE THEREOF AS ANTICANCER AGENTS AVENTIS PHARMA SA (FR) 2006-10-04 EP disclosed
US-6887904-B2 Substituted arylcycloalkanes, compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-05-03 US disclosed
EP-1453783-A1 SUBSTITUTED ARYL-CYCLOALKANES, AND USE THEREOF AS ANTICANCER AGENTS Aventis Pharma S.A. (FR) 2004-09-08 EP disclosed
US-20030149072-A1 Substituted arylcycloalkanes, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2003-08-07 US disclosed
WO-2003048096-A1 SUBSTITUTED ARYL-CYCLOALKANES, AND USE THEREOF AS ANTICANCER AGENTS AVENTIS PHARMA S.A. (FR) 2003-06-12 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 (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-20030149072-A1 Substituted arylcycloalkanes, compositions containing them and use thereof ABL1, MCL1, AHR ALOX5 1755/4885S1PR3 1246/4885ALDH1A1 682/4885

“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.