SCHEMBL9607156

SCHEMBL9607156

CCCC(C#CC=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL9607112 0.80 — —
SCHEMBL10098880 0.73 RIPK1 (0.36) CYP3A4HTTSMN1; SMN2
SCHEMBL10424636 0.72 PRSS1 (0.34) CYP3A4
SCHEMBL7501347 0.72 AOC3 (0.35) CYP3A4HTTSMN1; SMN2
SCHEMBL30014105 0.72 AOC3 (0.38) CYP3A4HTTSMN1; SMN2
SCHEMBL5970973 0.71 PPARG (0.47) CYP3A4SMN1; SMN2
SCHEMBL14997679 0.71 FFAR1 (0.35) CTSK
SCHEMBL1295789 0.71 HTT (0.34) CYP3A4HTTSMN1; SMN2
SCHEMBL6376730 0.70 PRSS1 (0.37) CTSK
SCHEMBL14997680 0.69 MEN1 (0.32) CTSK

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-20120136057-A1 HYDROXY FATTY ACID COMPOUNDS AND USES THEREOF FOR DISEASE TREATMENT AND DIAGNOSIS PHENOMENOME DISCOVERIES INC. (CA) 2012-05-31 — — 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-20120136057-A1 HYDROXY FATTY ACID COMPOUNDS AND USES THEREOF FOR DISEASE TREATMENT AND DIAGNOSIS HCAR2, ALOX5, ALOX12 CTSK 1758/4885CYP3A4 383/4885HTT 1118/4885

“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.

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