SCHEMBL2884545

SCHEMBL2884545

COC(=O)c1ccc(-c2ccc(C(=O)OC)c(C)c2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 2/20 0.52
GLA P06280 1/20 0.52
HPGD P15428 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
ATM Q13315 1/20 0.52
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
PDK2 Q15119 1/20 0.50
PDK4 Q16654 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL9150203 0.93 RXRB (0.57) KDM4EGAAMAPTALDH1A1HSD17B10
SCHEMBL9149067 0.93 KDM4E (0.46) KDM4EGAAMAPTALDH1A1HSD17B10
SCHEMBL14084580 0.91 EGFR (0.56) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL28675075 0.91 CA12 (0.56) KDM4EGAAMAPTALDH1A1HSD17B10
SCHEMBL12534220 0.89 MAPT (0.57) KDM4EGAAMAPTALDH1A1HSD17B10
SCHEMBL1761310 0.89 GAA (0.56) KDM4EGAAMAPTALDH1A1HSD17B10
SCHEMBL23512354 0.88 RARB (0.50) KDM4EGAAMAPTALDH1A1HSD17B10
SCHEMBL23448609 0.88 CYP46A1 (0.57) KDM4EGAAMAPTALDH1A1HSD17B10
SCHEMBL15110088 0.87 RXRB (0.55) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL6889135 0.87 HSD17B1 (0.54) GAAMAPTALDH1A1HPGDCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 EP disclosed
EP-0439616-B1 METHOD OF PRODUCING 3,4,3',4'-SUBSTITUTED BIPHENYL COMPOUNDS UBE INDUSTRIES (JP) 1995-01-04 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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 KDM4E 3239/4885GAA 4412/4885MAPT 2046/4885

“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.