SCHEMBL12134271

SCHEMBL12134271

O=C(O)O[C@@H](C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.50
CYP2D6 P10635 1/20 0.50
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
PPARA Q07869 4/20 0.44
PPARG P37231 1/20 0.44
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL11810850 0.83 KMT2A (0.53) SRCCYP2D6ALDH1A1CYP3A4LMNA
SCHEMBL628737 0.83 ALDH1A1 (0.70) SRCCYP2D6ALDH1A1CYP3A4LMNA
SCHEMBL493954 0.83 ALDH1A1 (0.70) SRCCYP2D6ALDH1A1CYP3A4LMNA
SCHEMBL1286155 0.83 ALDH1A1 (0.70) SRCCYP2D6ALDH1A1CYP3A4LMNA
SCHEMBL722642 0.83 CYP2D6 (0.48) SRCCYP2D6ALDH1A1CYP3A4LMNA
SCHEMBL16001587 0.83 KMT2A (0.53) SRCCYP2D6ALDH1A1CYP3A4LMNA
SCHEMBL248434 0.82 SRC (0.50) SRCCYP2D6ALDH1A1CYP3A4LMNA
SCHEMBL13431734 0.82 SRC (0.50) SRCCYP2D6ALDH1A1CYP3A4LMNA
SCHEMBL2174670 0.82 SRC (0.50) SRCCYP2D6ALDH1A1CYP3A4LMNA
SCHEMBL8400939 0.81 SRC (0.54) SRCCYP2D6ALDH1A1CYP3A4LMNA

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
WO-2011141932-A2 PROCESS FOR PREPARATION OF PHENOLIC MONOESTERS OF HYDROXYMETHYL PHENOLS INTAS PHARMACEUTICALS LIMITED (IN) 2011-11-17 WO disclosed
US-20110282094-A1 PROCESS FOR PREPARATION OF PHENOLIC MONOESTERS OF HYDROXYMETHYL PHENOLS INTAS PHARMACEUTICALS LIMITED (IN) 2011-11-17 US disclosed
US-20110282094-A1 PROCESS FOR PREPARATION OF PHENOLIC MONOESTERS OF HYDROXYMETHYL PHENOLS INTAS PHARMACEUTICALS LIMITED (IN) 2011-11-17 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-20110282094-A1 PROCESS FOR PREPARATION OF PHENOLIC MONOESTERS OF HYDROXYMETHYL PHENOLS HPD, COMT, PNMT SRC 2046/4885CYP2D6 53/4885ALDH1A1 257/4885

“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.