SCHEMBL4241992

SCHEMBL4241992

CCCCCCCCCCCCCCCCOCCCO[P](=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.50
CES2 O00748 2/20 0.47
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
LPAR3 Q9UBY5 5/20 0.39
LPAR1 Q92633 4/20 0.39
LPAR2 Q9HBW0 2/20 0.39
NAAA Q02083 1/20 0.39
CES1 P23141 1/20 0.39
LPAR5 Q9H1C0 1/20 0.38
EPHX1 P07099 1/20 0.37

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
SCHEMBL3913988 0.92 LPAR3 (0.45) HTTMEN1THRBKMT2AMAPT
SCHEMBL9660836 0.92 LPAR3 (0.45) HTTMEN1THRBKMT2AMAPT
SCHEMBL700752 0.92 LPAR3 (0.45) HTTMEN1THRBKMT2AMAPT
SCHEMBL700802 0.92 LPAR3 (0.45) HTTMEN1THRBKMT2AMAPT
SCHEMBL700500 0.92 LPAR3 (0.45) HTTMEN1THRBKMT2AMAPT
SCHEMBL9660637 0.92 LPAR3 (0.45) HTTMEN1THRBKMT2AMAPT
SCHEMBL6470248 0.92 LPAR3 (0.45) HTTMEN1THRBKMT2AMAPT
SCHEMBL706907 0.89
SCHEMBL702719 0.83
SCHEMBL1689825 0.81 LPAR3 (0.50) MEN1KMT2AMAPTUSP2LPAR3

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-20090156545-A1 Substituted Phosphate Esters of Nucleoside Phosphonates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-06-18 US disclosed
WO-2006130217-A2 SUBSTITUTED PHOSPHATE ESTERS OF NUCLEOSIDE PHOSPHONATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-12-07 WO 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-20090156545-A1 Substituted Phosphate Esters of Nucleoside Phosphonates PNP, TYMP, ENPP1 HTT 3456/4885MEN1 2049/4885THRB 2027/4885

“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.