SCHEMBL17070748

SCHEMBL17070748

Cc1cc(-c2ccccc2)c(C(C)(C)O)cc1-c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
PPARG P37231 7/20 0.42
PPARA Q07869 7/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PPARD Q03181 1/20 0.42
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
MPI P34949 1/20 0.40
KMT2A Q03164 1/20 0.40
ESR2 Q92731 1/20 0.37
CYP1A2 P05177 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDCD1 Q15116 1/20 0.36

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 0.91 PPARG (0.46) CA12CA1CA2CA9PPARG
SCHEMBL293550 0.83 PPARG (0.41) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL17070747 0.80 PPARG (0.50) CA12CA1CA2CA9PPARG
SCHEMBL17061422 0.78 PPARG (0.38) CA12CA1CA2CA9PPARG
SCHEMBL12647491 0.77 ESR2 (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL1559816 0.75 ALDH1A1 (0.45) CA12CA1CA2CA9PPARG
SCHEMBL10010552 0.75 PPARG (0.42) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL14063307 0.75 PTGS2 (0.43) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL15520774 0.74 PPARG (0.38) CA12CA1CA2CA9PPARG
SCHEMBL1559755 0.73 CYP1A2 (0.42) CA12CA1CA2CA9PPARG

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 CA12 1129/4885CA1 2817/4885CA2 2969/4885

“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.