SCHEMBL13767935

SCHEMBL13767935

C=CCCCCCC(OC(C)(C)C(C)(C)C(=O)C(C)OC(C)(C)C)C(=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.37
CYP3A4 P08684 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 2/20 0.35
RECQL P46063 1/20 0.33
CYP2C9 P11712 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
SCHEMBL13767996 0.99 USP2 (0.35) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL13844219 0.95 ALDH1A1 (0.31) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL14035469 0.91 ALDH1A1 (0.34) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL13455197 0.90
SCHEMBL14035412 0.83 USP2 (0.38) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL14035567 0.83 USP2 (0.34) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL13767999 0.82
SCHEMBL14035381 0.80
SCHEMBL13768012 0.80 TSHR (0.30)
SCHEMBL13455149 0.77 GABRP (0.33)

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-7557176-B2 Polyhydroxyalkanoic acid having vinyl, ester, carboxyl or sulfonic acid group and producing method therefor CANON KABUSHIKI KAISHA (JP) 2009-07-07 US disclosed
US-20080064828-A1 Polyhydroxyalkanoic Acid Having Vinyl, Ester, Carboxyl or Sulfonic Acid Group and Producing Method Therefor CANON KABUSHIKI KAISHA (JP) 2008-03-13 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-20080064828-A1 Polyhydroxyalkanoic Acid Having Vinyl, Ester, Carboxyl or Sulfonic Acid Group and Producing Method Therefor FAR1, ACSL4, ACAD11 USP2 780/4885CYP3A4 386/4885MAPT 4775/4885

“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.