SCHEMBL17976925

SCHEMBL17976925

CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)C(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.35
▸ PRSS1 P07477 3/20 0.34
▸ CTSG P08311 2/20 0.34
▸ CTRB1 P17538 2/20 0.34
▸ CMA1 P23946 2/20 0.34
▸ SPHK1 Q9NYA1 1/20 0.34
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ TP53 P04637 1/20 0.31
▸ HDAC8 Q9BY41 2/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ MMP12 P39900 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ OPRL1 P41146 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 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
SCHEMBL15003143 0.92 CSNK1E (0.36) CSNK1EALDH1A1PRSS1CTSGCTRB1
SCHEMBL12055826 0.88 CSNK1E (0.44) CSNK1EALDH1A1PRSS1CTSGCTRB1
SCHEMBL14994792 0.87 CSNK1E (0.48) CSNK1EALDH1A1PRSS1CTSGCTRB1
SCHEMBL24339526 0.84 CSNK1E (0.39) CSNK1EALDH1A1PRSS1CTSGCTRB1
SCHEMBL29020895 0.84 CSNK1E (0.39) CSNK1EALDH1A1PRSS1CTSGCTRB1
SCHEMBL18641633 0.84 CSNK1E (0.39) CSNK1EALDH1A1PRSS1CTSGCTRB1
SCHEMBL18665359 0.84 CSNK1E (0.39) CSNK1EALDH1A1PRSS1CTSGCTRB1
SCHEMBL14372493 0.82 SGPL1 (0.43) CSNK1EPRSS1CTSGCTRB1CMA1
SCHEMBL17972405 0.82 PRSS1 (0.39) CSNK1EALDH1A1PRSS1CTSGCTRB1
SCHEMBL12261534 0.82 CSNK1E (0.36) CSNK1EALDH1A1PRSS1CTSGCTRB1

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 CSNK1E 3730/4885ALDH1A1 1897/4885PRSS1 3813/4885

“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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