SCHEMBL12417831

SCHEMBL12417831

CC(C)C/C=C/c1ccc(C(C)C)s1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
HTR2A P28223 3/20 0.31

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
SCHEMBL16841331 1.00 ALOX5 (0.33) ALOX5HTR2A
SCHEMBL22292429 0.83 ALOX5 (0.33) ALOX5
SCHEMBL22292454 0.81
SCHEMBL13946976 0.79 MAPT (0.44)
SCHEMBL20852649 0.78
SCHEMBL19347357 0.76 ALDH1A1 (0.39) HTR2A
SCHEMBL12394799 0.75 ALOX5 (0.35) ALOX5
SCHEMBL13723082 0.73 PTGS1 (0.36)
SCHEMBL13026632 0.73 CYP2E1 (0.39) ALOX5HTR2A
SCHEMBL9906043 0.72 SMN1; SMN2 (0.50) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172299-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES ALLERGAN, INC. (US) 2011-07-14 US disclosed
US-20110172299-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES ALLERGAN, INC. (US) 2011-07-14 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-20110172299-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES TUBB6, TUBB3, TUBB2A ALOX5 36/4885HTR2A 1819/4885

“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.