SCHEMBL9909348

SCHEMBL9909348

Cc1ccc(CC(c2ccc(Cl)cc2)c2ccc(CNCCC(=O)O)cc2)cc1C

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.55
CNR1 P21554 1/20 0.46
FOLH1 Q04609 1/20 0.45
ALDH1A1 P00352 1/20 0.42
CACNA1G O43497 1/20 0.41
FFAR1 O14842 1/20 0.40

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
SCHEMBL9909374 0.90 S1PR1 (0.66) S1PR1FOLH1FFAR1
SCHEMBL9909384 0.85 S1PR1 (0.53) S1PR1
SCHEMBL9110660 0.84 S1PR1 (0.49) S1PR1CNR1FOLH1CACNA1GFFAR1
SCHEMBL9909385 0.82 S1PR1 (0.50) S1PR1CNR1ALDH1A1
SCHEMBL9909372 0.79 S1PR1 (0.64) S1PR1FOLH1FFAR1
SCHEMBL9909341 0.77 FFAR1 (0.47) S1PR1FOLH1ALDH1A1FFAR1
SCHEMBL16506178 0.76 S1PR1 (0.78) S1PR1FOLH1ALDH1A1FFAR1
SCHEMBL15942975 0.76 L3MBTL1 (0.55) S1PR1FOLH1ALDH1A1CACNA1G
SCHEMBL16506665 0.76 S1PR1 (0.77) S1PR1FOLH1ALDH1A1
SCHEMBL9110982 0.76 S1PR1 (0.59) S1PR1FOLH1FFAR1

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-20120142640-A1 ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 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-20120142640-A1 ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885CNR1 18/4885FOLH1 2662/4885

“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.