SCHEMBL17976784

SCHEMBL17976784

CCCCCCCCCCCCCC/C=C/[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ SOAT2 O75908 1/20 0.34
▸ SOAT1 P35610 1/20 0.34
▸ FAAH O00519 3/20 0.33
▸ EPHX2 P34913 1/20 0.33

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
SCHEMBL5276226 0.83 S1PR1 (0.49) CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5276231 0.83 S1PR1 (0.49) CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4341940 0.81 PPARG (0.41) PPARGPPARASOAT2SOAT1FAAH
SCHEMBL4341938 0.81 PPARG (0.41) PPARGPPARASOAT2SOAT1FAAH
SCHEMBL16878592 0.79 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL16878593 0.79 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL21457933 0.79 SMYD2 (0.34) CYP3A4
SCHEMBL21457932 0.79 SMYD2 (0.34) CYP3A4
SCHEMBL21457931 0.79 SMYD2 (0.34) CYP3A4
SCHEMBL21411327 0.79 SGPL1 (0.54) —

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-20160220595-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO DEFENSE THREAT REDUCTION AGENCY, US DOD 2016-08-04 — — 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-20160220595-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO PNP, NTPCR, TYMP CYP1A2 4521/4885CYP3A4 4033/4885CYP2D6 3638/4885

“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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