SCHEMBL168135

SCHEMBL168135

CC(=O)OCCCc1ccc(C(C)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.59
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.49
TNKS2 Q9H2K2 1/20 0.48
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
CYP4A11 Q02928 2/20 0.45
HRH3 Q9Y5N1 1/20 0.45
CYP2J2 P51589 1/20 0.44
CYP4F2 P78329 1/20 0.44
MAOB P27338 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
SIRT2 Q8IXJ6 1/20 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
SCHEMBL9251076 0.95 HSD17B10 (0.57) HSD17B10KMT2AL3MBTL1GAATNKS2
SCHEMBL86418 0.89 KMT2A (0.55) HSD17B10KMT2AL3MBTL1GAAALDH1A1
SCHEMBL4303524 0.85 PTPRC (0.46) HSD17B10TNKS2ALDH1A1LMNACYP4A11
SCHEMBL10811907 0.84 HSD17B10 (0.61) HSD17B10KMT2AL3MBTL1GAAALDH1A1
SCHEMBL16672630 0.84 CTDSP1 (0.55) L3MBTL1TNKS2ALDH1A1LMNARAB9A
SCHEMBL169165 0.83 GSK3B (0.47) HSD17B10TNKS2LMNACYP4A11CYP2J2
SCHEMBL11424105 0.82 HSD17B10 (0.74) HSD17B10KMT2AL3MBTL1GAALMNA
SCHEMBL17457887 0.82 HSD17B10 (0.74) HSD17B10KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL11132081 0.82 LOXL2 (0.46) HSD17B10TNKS2ALDH1A1LMNACYP4A11
SCHEMBL3801810 0.82 TNKS2 (0.48) TNKS2ALDH1A1LMNAMAOBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012027965-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed
WO-2012027965-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed
EP-1567503-B1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS ASTELLAS PHARMA INC (JP) 2011-12-21 EP disclosed
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
US-5385693-A Having rapid response and low phase transition temperature SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0357372-B1 Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL CO (JP) 1994-11-17 EP disclosed
US-5264151-A Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-11-23 US disclosed
US-5124070-A High speed response SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-06-23 US disclosed
EP-0357372-A2 Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-03-07 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-20070112037-A1 Pyrazole Derivatives CYP11B2, CYP11B1, CYP3A43 HSD17B10 471/4885KMT2A 1845/4885L3MBTL1 1758/4885

“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.