SCHEMBL5831258

SCHEMBL5831258

CCOC(CO)Cc1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.50
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
SLC6A4 P31645 1/20 0.49
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
PPARA Q07869 4/20 0.43
PPARG P37231 2/20 0.43
PPARD Q03181 1/20 0.43
IDO1 P14902 1/20 0.41
POLB P06746 1/20 0.41
CALM1 P0DP23 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
SCHEMBL17669941 1.00 LDHA (0.50) LDHACYP2C9TSHRSLC6A4CYP1A2
SCHEMBL1262676 0.82 LDHA (0.53) LDHACYP2C9TSHRSLC6A4CYP1A2
SCHEMBL17680419 0.82 PPARA (0.39) PPARAPPARGPPARDIDO1
SCHEMBL2578194 0.82 PPARA (0.39) PPARAPPARGPPARDIDO1
SCHEMBL7254097 0.82 ESR1 (0.46) PPARA
SCHEMBL2557410 0.81 SLC6A2 (0.44) SLC6A4PPARAPPARG
SCHEMBL6204861 0.80 TRPA1 (0.50) CYP2C9SLC6A4CYP1A2CYP2C19PPARA
SCHEMBL28548708 0.80 KMT2A (0.44) LDHACYP2C9TSHRSLC6A4CYP1A2
SCHEMBL6813922 0.79 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL17683698 0.78 CASR (0.48) LDHASLC6A4CYP1A2CYP2D6CYP2C19

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
US-9550719-B2 Process for the preparation of 3-aryl-2-hydroxy propanoic acid compounds COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-01-24 US disclosed
US-20160102042-A1 A PROCESS FOR THE PREPARATION OF 3-ARYL-2-HYDROXY PROPANOIC ACID COMPOUNDS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-04-14 US disclosed
US-7132092-B2 Metallized mesoporous silicate and method of oxidation with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-11-07 US disclosed
US-20050090688-A1 Metallized mesoporous silicate and method of oxidation with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-04-28 US disclosed
EP-1473275-A1 METALLIZED MESOPOROUS SILICATE AND METHOD OF OXIDATION WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2004-11-03 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-20160102042-A1 A PROCESS FOR THE PREPARATION OF 3-ARYL-2-HYDROXY PROPANOIC ACID COMPOUNDS P4HA1, HCAR1, HPD LDHA 273/4885CYP2C9 207/4885TSHR 1531/4885

“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.