SCHEMBL13464580

SCHEMBL13464580

CC1(C)CCC(NC(=O)c2ccc(OCCO)c(OCCc3cccc(Cl)c3)c2)(C(=O)O)CC1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.72
SCD O00767 3/20 0.46
F10 P00742 2/20 0.41
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR2B P41595 1/20 0.39
HTR6 P50406 1/20 0.39
HIF1A Q16665 1/20 0.38
GPR132 Q9UNW8 2/20 0.37
NOX1 Q9Y5S8 1/20 0.37

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
SCHEMBL13464505 0.93 LPAR1 (0.75) LPAR1SCDF10HTR2CSLC6A4
SCHEMBL1809589 0.91 LPAR1 (0.83) LPAR1SCDF10HTR2CSLC6A4
SCHEMBL1809806 0.90 LPAR1 (0.70) LPAR1SCDF10HTR2CSLC6A4
SCHEMBL1809804 0.90 LPAR1 (0.70) LPAR1SCDF10HTR2CSLC6A4
SCHEMBL1809802 0.90 LPAR1 (0.70) LPAR1SCDF10HTR2CSLC6A4
SCHEMBL1809782 0.88 LPAR1 (0.68) LPAR1SCDF10HTR2CSLC6A4
SCHEMBL1809781 0.88 LPAR1 (0.68) LPAR1SCDF10HTR2CSLC6A4
SCHEMBL1809779 0.88 LPAR1 (0.68) LPAR1SCDF10HTR2CSLC6A4
SCHEMBL1812311 0.85 LPAR1 (0.88) LPAR1SCDF10HTR2CSLC6A4
SCHEMBL13464470 0.83 LPAR1 (0.67) LPAR1SCDGPR132NOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264790-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-10-18 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-20120264790-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS LPAR2, LIPG, EDF1 LPAR1 4/4885SCD 1567/4885F10 112/4885

“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.