SCHEMBL9891073

SCHEMBL9891073

CCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 8/20 0.54
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.43
ENO1 P06733 2/20 0.41
ABCB11 O95342 1/20 0.38
POLA1 P09884 1/20 0.38
POLG P54098 1/20 0.38
FAP Q12884 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
PRKCA P17252 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 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
SCHEMBL2458617 0.86 BTN3A1 (0.60) BTN3A1ALDH1A1ENO1ABCB11POLA1
SCHEMBL9891072 0.84 BTN3A1 (0.58) BTN3A1ALDH1A1ENO1ABCB11POLA1
SCHEMBL27602723 0.84 BTN3A1 (0.54) BTN3A1ALDH1A1ENO1ABCB11POLA1
SCHEMBL17039630 0.82 BTN3A1 (0.53) BTN3A1ALDH1A1ENO1ABCB11POLA1
SCHEMBL10378800 0.81 BTN3A1 (0.50) BTN3A1ALDH1A1TSHRENO1ABCB11
SCHEMBL29322963 0.81 BTN3A1 (0.51) BTN3A1ALDH1A1ENO1ABCB11POLA1
SCHEMBL10251138 0.79 BTN3A1 (0.57) BTN3A1ALDH1A1ENO1ABCB11POLA1
SCHEMBL17036739 0.79 BTN3A1 (0.50) BTN3A1ALDH1A1ENO1ABCB11POLA1
SCHEMBL10378801 0.79 BTN3A1 (0.49) BTN3A1ALDH1A1ENO1ABCB11POLA1
SCHEMBL9891063 0.79 BTN3A1 (0.49) BTN3A1ALDH1A1ENO1ABCB11POLA1

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-8785629-B2 Phosphonates synthons for the synthesis of phosphonates derivatives showing better bioavailability CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-07-22 US disclosed
US-20120142897-A1 PHOSPHONATES SYNTHONS FOR THE SYNTHESIS OF PHOSPHONATES DERIVATIVES SHOWING BETTER BIOAVAILABILITY UNIVERSITE D'ORLEANS (FR) 2012-06-07 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-20120142897-A1 PHOSPHONATES SYNTHONS FOR THE SYNTHESIS OF PHOSPHONATES DERIVATIVES SHOWING BETTER BIOAVAILABILITY PNP, PHPT1, TYMP BTN3A1 3336/4885ALDH1A1 3189/4885TSHR 1146/4885

“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.