SCHEMBL9909379

SCHEMBL9909379

Cc1cccc(C(Cc2ccc(C)c(C)c2)c2ccc(C=O)cc2-c2cccs2)c1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CTSA P10619 1/20 0.31
PSMB8 P28062 2/20 0.30
PSMB5 P28074 2/20 0.30

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
SCHEMBL9909371 0.85 CTSA (0.34) CTSAPSMB8PSMB5
SCHEMBL9909339 0.82 PTPN2 (0.32) MAOAMAOB
SCHEMBL9110700 0.81 MAPT (0.32)
SCHEMBL9909386 0.79 S1PR1 (0.45)
SCHEMBL9909350 0.67 S1PR1 (0.43) PSMB8PSMB5
SCHEMBL9909370 0.66 S1PR1 (0.36) PSMB8PSMB5
SCHEMBL9909383 0.66 CETP (0.35) CTSA
SCHEMBL9112786 0.66 MAPT (0.33)
SCHEMBL13037458 0.66 ERN1 (0.46) MAOAMAOB
SCHEMBL9909365 0.66 NPC1 (0.41) MAOAMAOB

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 MAOA 3370/4885MAOB 2856/4885CTSA 2054/4885

“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.