SCHEMBL9891077

SCHEMBL9891077

CC=CCn1ccc(=O)[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DUT P33316 11/20 0.54
PKM P14618 1/20 0.49
CRBN Q96SW2 2/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL12955007 1.00 DUT (0.54) DUTPKMCRBNALDH1A1LMNA
SCHEMBL15798507 0.82 DUT (0.54) DUTPKMCRBNALDH1A1LMNA
SCHEMBL15798508 0.82 DUT (0.54) DUTPKMCRBNALDH1A1LMNA
SCHEMBL4788922 0.79 DUT (0.50) DUTPKMCRBNALDH1A1LMNA
SCHEMBL4537742 0.78 DUT (0.49) DUTPKMCRBNALDH1A1LMNA
SCHEMBL1923335 0.75 PKM (0.61) DUTPKMCRBNALDH1A1LMNA
SCHEMBL11307079 0.75 DUT (0.48) DUTPKMALDH1A1LMNA
SCHEMBL4348697 0.74 L3MBTL1 (0.59) DUTPKMCRBNALDH1A1LMNA
SCHEMBL1731465 0.73 DUT (0.49) DUTPKMCRBNALDH1A1LMNA
SCHEMBL11983580 0.73 ALDH1A1 (0.58) DUTPKMCRBNALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443130-B1 PHOSPHONATES SYNTHONS FOR THE SYNTHESIS OF PHOSPHONATES DERIVATIVES SHOWING BETTER BIOAVAILABILITY CENTRE NAT RECH SCIENT (FR) 2016-08-03 EP disclosed
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
US-20120142897-A1 PHOSPHONATES SYNTHONS FOR THE SYNTHESIS OF PHOSPHONATES DERIVATIVES SHOWING BETTER BIOAVAILABILITY UNIVERSITE D'ORLEANS (FR) 2012-06-07 US disclosed
EP-2270021-A1 Phosphonates synthons for the synthesis of phosphonates derivatives showing better bioavailability Centre National de la Recherche Scientifique (FR) 2011-01-05 EP 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 DUT 179/4885PKM 262/4885CRBN 2792/4885

“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.