SCHEMBL17070747

SCHEMBL17070747

CC(C)(O)c1cc(-c2cccc3ccccc23)ccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.50
PPARA Q07869 8/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
PPARD Q03181 1/20 0.50
MCL1 Q07820 1/20 0.47
ACMSD Q8TDX5 1/20 0.47
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MPI P34949 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL10299008 0.85 PPARG (0.46) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL17070748 0.80 CA12 (0.42) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL293550 0.79 PPARG (0.41) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL15519789 0.77 PPARG (0.34) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL19579537 0.76 MCL1 (0.49) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL4894003 0.75 CA12 (0.61) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL30258083 0.75 CA12 (0.61) PPARGPPARACYP2C9CYP2C19PPARD
Biphenyl SCHEMBL4006980 0.75 CA12 (0.61) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL69345 0.75 TNF (0.61) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL29399206 0.75 TNF (0.61) PPARGPPARACYP2C9CYP2C19PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150255720-A1 Compounds for Electronic Devices MERCK PATENT GMBH (DE) 2015-09-10 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-20150255720-A1 Compounds for Electronic Devices DDT, EED, VDAC2 PPARG 1807/4885PPARA 2549/4885CYP2C9 211/4885

“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.