SCHEMBL17174997

SCHEMBL17174997

CCCCCCCCCCCCCC[C@H]1OC(C)(C)O[C@H]1[C@H](CO)NC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DAGLA Q9Y4D2 4/20 0.37
▸ CNR1 P21554 3/20 0.37
▸ PLA2G2C Q5R387 4/20 0.36
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ PLA2G2A P14555 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ FASN P49327 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ SIRT6 Q8N6T7 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ASAH1 Q13510 1/20 0.32

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
SCHEMBL31303197 0.88 MEN1 (0.44) PLA2G2CMAPK1MEN1KMT2AASAH1
SCHEMBL15948706 0.85 EPHX1 (0.37) DAGLACNR1CYP1A2POLBFASN
SCHEMBL15685416 0.84 EPHX1 (0.37) —
SCHEMBL15948876 0.83 CTSK (0.36) —
SCHEMBL17972404 0.83 PLA2G2A (0.44) PLA2G2A
SCHEMBL17972403 0.81 PLA2G2A (0.45) DAGLACNR1PLA2G2CPLA2G2A
SCHEMBL17174995 0.81 CNR1 (0.36) DAGLACNR1PLA2G2CPLA2G2ACYP3A4
SCHEMBL15381137 0.78 SPHK1 (0.39) DAGLATP53CYP1A2CYP2D6MAPT
SCHEMBL17682895 0.76 LMNA (0.35) DAGLATP53CYP1A2CYP2D6MAPT
SCHEMBL20019591 0.75 SPHK1 (0.40) DAGLACYP2C9CYP2C19TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11857560-B2 Pharmaceutical compositions comprising substituted nucleotides and nucleosides for treating viral infections EMORY UNIVERSITY (US) 2024-01-02 — — US disclosed
US-20160220595-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO DEFENSE THREAT REDUCTION AGENCY, US DOD 2016-08-04 — — US disclosed
US-20150291646-A1 METHOD OF PREPARATION OF ALPHA GALACTOSYL CERAMIDES COMPOUNDS ABIVAX (FR) 2015-10-15 — — 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 (3 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 DAGLA 2952/4885CNR1 4011/4885PLA2G2C 1444/4885
US-11857560-B2 Pharmaceutical compositions comprising substituted nucleotides and nucleosides for treating viral infections SLC28A1, PNP, SLC28A2 DAGLA 4492/4885CNR1 1314/4885PLA2G2C 599/4885
US-20150291646-A1 METHOD OF PREPARATION OF ALPHA GALACTOSYL CERAMIDES COMPOUNDS UGCG, GBA1, MAN2B1 DAGLA 248/4885CNR1 719/4885PLA2G2C 404/4885

“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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