SCHEMBL562599

SCHEMBL562599

Cc1cc(OCC(=O)O)cc(C)c1-c1cccc(C=O)c1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.48
THRA P10827 2/20 0.47
THRB P10828 2/20 0.47
MCL1 Q07820 1/20 0.46
HPGD P15428 2/20 0.45
PTPRB P23467 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.44
FFAR1 O14842 6/20 0.44
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
CD69 Q07108 1/20 0.39
PTPN7 P35236 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
SCHEMBL10203752 0.88 PPARA (0.43) HPGDHSD17B10LMNAFFAR1KDM4E
SCHEMBL2911933 0.87 KAT6A (0.37) PTGDR2THRATHRBMCL1HPGD
SCHEMBL10203729 0.83 FFAR1 (0.35) MCL1HPGDLMNAFFAR1ALOX15
SCHEMBL10203743 0.82 FFAR1 (0.39) HPGDLMNAFFAR1KDM4EALDH1A1
SCHEMBL562863 0.81 LMNA (0.41) LMNAALOX15ALDH1A1
SCHEMBL10203746 0.80 ALDH1A1 (0.41) LMNAKDM4EALDH1A1
SCHEMBL561861 0.80 FFAR1 (0.42) FFAR1
SCHEMBL10203744 0.80 FFAR1 (0.42) THRAHPGDFFAR1ALOX15ALDH1A1
SCHEMBL562138 0.79 SMN1; SMN2 (0.53) PPARG
SCHEMBL2914074 0.79 CD274 (0.34) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423176-A1 CARBOXYLIC ACID COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 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-20120035196-A1 CARBOXYLIC ACID COMPOUND GPR119, GPR65, GPR55 PTGDR2 2229/4885THRA 1072/4885THRB 900/4885

“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.