SCHEMBL334173

SCHEMBL334173

COCOc1cc(CC(=O)O)ccc1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.63
GAA P10253 4/20 0.54
TSHR P16473 3/20 0.54
NFKB1 P19838 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CA5A P35218 1/20 0.48
PTGS1 P23219 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42

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
SCHEMBL6566769 0.84 CA5A (0.62) GAATSHRNFKB1TDP1ALDH1A1
SCHEMBL7897205 0.84 SLC22A12 (0.67) SLC22A12GAATSHRNFKB1TDP1
SCHEMBL1010618 0.83 GAA (0.70) SLC22A12GAATSHRNFKB1TDP1
SCHEMBL31716334 0.83 GAA (0.53) SLC22A12GAATSHRNFKB1TDP1
SCHEMBL3909586 0.81 CYP1A2 (0.50) SLC22A12GAATSHRNFKB1TDP1
SCHEMBL334082 0.80 SLC22A12 (0.40) SLC22A12GAATSHRTDP1FFAR1
SCHEMBL17316708 0.79 SLC22A12 (0.60) SLC22A12GAATSHRNFKB1TDP1
SCHEMBL10271333 0.78 PKM (0.42) SLC22A12GAATSHRTDP1ALDH1A1
SCHEMBL460443 0.78 SLC22A12 (1.00) SLC22A12GAATSHRNFKB1TDP1
SCHEMBL6155856 0.78 SLC22A12 (0.38) SLC22A12GAATSHRTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 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-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG SLC22A12 2342/4885GAA 4712/4885TSHR 189/4885

“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.