SCHEMBL334307

SCHEMBL334307

CCOC(=O)c1ccc(OCOC)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.54
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA7 P43166 3/20 0.51
CA9 Q16790 3/20 0.51
CA14 Q9ULX7 3/20 0.51
TAS1R3 Q7RTX0 3/20 0.48
TAS1R1 Q7RTX1 3/20 0.48
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL3480463 0.89 HSD17B2 (0.59) HSD17B2CA12CA1CA2CA7
SCHEMBL1630042 0.88 HSD17B2 (0.57) HSD17B2CA12CA1CA2CA7
SCHEMBL12493300 0.87 TAS1R3 (0.60) HSD17B2CA12CA1CA2CA7
SCHEMBL18425105 0.87 HSD17B2 (0.64) HSD17B2CA12CA1CA2CA7
SCHEMBL2645488 0.85 HSD17B2 (0.51) HSD17B2CA12CA1CA2CA7
SCHEMBL13380461 0.84 KMT2A (0.44) HSD17B2SMN1; SMN2MAPTMEN1GAA
SCHEMBL5866557 0.84 HSD17B2 (0.69) HSD17B2CA12CA1CA2CA7
SCHEMBL2463760 0.83 CREBBP (0.47) TAS1R3TAS1R1LMNAMAPTMEN1
SCHEMBL3897901 0.82 HSD17B2 (0.55) HSD17B2CA12CA1CA2CA7
SCHEMBL16055131 0.82 HSD17B2 (0.55) HSD17B2CA12CA1CA2CA7

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-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

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 HSD17B2 286/4885CA12 4486/4885CA1 4725/4885

“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.