SCHEMBL1786794

SCHEMBL1786794

C[C@H](NOC(C)(C)C)C(=O)OP(=O)(Cl)Oc1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 2/20 0.40
BTN3A1 O00481 4/20 0.38
PGR P06401 1/20 0.38
GAA P10253 1/20 0.38
PTGS1 P23219 1/20 0.38
MAPK1 P28482 1/20 0.38
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
OGG1 O15527 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL1028181 0.87 BTN3A1 (0.40) ALDH1A1HSD17B10KDM4EBTN3A1PGR
SCHEMBL15487036 0.86 ALDH1A1 (0.39) ALDH1A1HSD17B10KDM4EBTN3A1PGR
SCHEMBL1786739 0.84 BTN3A1 (0.41) ALDH1A1HSD17B10KDM4EBTN3A1PGR
SCHEMBL15720921 0.84 CYP2D6 (0.46) ALDH1A1HSD17B10KDM4EBTN3A1PGR
SCHEMBL12477823 0.83 CNR2 (0.39) ALDH1A1KDM4EBTN3A1CARM1PRMT6
SCHEMBL15708299 0.83 ALDH1A1 (0.38) ALDH1A1HSD17B10KDM4EBTN3A1PGR
SCHEMBL722000 0.83 KMT2A (0.40) ALDH1A1HSD17B10KDM4EBTN3A1PGR
SCHEMBL3977464 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EBTN3A1GAACARM1
SCHEMBL1027922 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EBTN3A1GAACARM1
SCHEMBL7027968 0.81 BTN3A1 (0.40) ALDH1A1BTN3A1HTTKMT2AMEN1

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-8658616-B2 Nucleoside aryl phosphoramidates and their use as anti-viral agents for the treatment of hepatitis C virus UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2014-02-25 US disclosed
US-20110124592-A1 NUCLEOSIDE ARYL PHOSPHORAMIDATES AND THEIR USE AS ANTI-VIRAL AGENTS FOR THE TREATMENT OF HEPATITUS C VIRUS K.U. LEUVEN RESEARCH AND DEVELOPMENT (BE) 2011-05-26 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-20110124592-A1 NUCLEOSIDE ARYL PHOSPHORAMIDATES AND THEIR USE AS ANTI-VIRAL AGENTS FOR THE TREATMENT OF HEPATITUS C VIRUS PNP, NSUN2, MTAP ALDH1A1 1292/4885HSD17B10 3824/4885KDM4E 3535/4885

“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.