SCHEMBL442352

SCHEMBL442352

CC(C)(C)c1cccc(C(C)(C)c2ccccc2)c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.68
GABRA1 P14867 1/20 0.53
GABRB2 P47870 1/20 0.53
ALDH1A1 P00352 3/20 0.50
ESR1 P03372 3/20 0.50
ESR2 Q92731 3/20 0.50
CYP3A4 P08684 2/20 0.50
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALOX12 P18054 1/20 0.44
PTPN5 P54829 1/20 0.43
CA1 P00915 1/20 0.40
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39

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
SCHEMBL1276539 0.94 CA2 (0.56) CA2GABRA1GABRB2ALDH1A1ESR1
SCHEMBL23071530 0.85 CA2 (0.85) CA2GABRA1GABRB2ALDH1A1NPSR1
Benzene SCHEMBL3767076 0.85 CA2 (0.94) CA2GABRA1GABRB2ALDH1A1NPSR1
SCHEMBL9488340 0.84 ALDH1A1 (0.50) CA2GABRA1GABRB2ALDH1A1ESR1
SCHEMBL38598 0.82 CA2 (1.00) CA2GABRA1GABRB2ALDH1A1NPSR1
SCHEMBL10550628 0.82 GABRA1 (0.62) CA2GABRA1GABRB2ALDH1A1ESR1
Phenol SCHEMBL7888105 0.81 CA2 (0.77) CA2GABRA1GABRB2ALDH1A1ESR1
SCHEMBL7711319 0.81 ESR1 (0.47) CA2GABRA1GABRB2ALDH1A1ESR1
SCHEMBL5596169 0.81 CA2 (0.63) CA2GABRA1GABRB2ALDH1A1ESR1
SCHEMBL1262470 0.81 ALDH1A1 (0.52) CA2ALDH1A1ESR1ESR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140357833-A1 HIGHLY FUNCTIONAL, HYPERBRANCHED POLYCARBONATES AND PRODUCTION AND USE THEREOF BASF SE (DE) 2014-12-04 US disclosed
US-8853331-B2 Highly functional, hyperbranched polycarbonates and production and use thereof BASF SE (DE) 2014-10-07 US disclosed
US-8680183-B2 Liquid stabilizer mixture BASF SE (DE) 2014-03-25 US disclosed
US-20120129987-A1 LIQUID STABILIZER MIXTURE BASE SE (DE) 2012-05-24 US disclosed
US-20120065328-A1 HIGHLY FUNCTIONAL, HYPERBRANCHED POLYCARBONATES AND PRODUCTION AND USE THEREOF BASF SE (DE) 2012-03-15 US disclosed
US-20100267893-A1 LIQUID STABILIZER MIXTURE BASF SE (DE) 2010-10-21 US disclosed
US-20090281274-A1 HIGHLY FUNCTIONAL, HYPERBRANCHED POLYCARBONATES AND PRODUCTION AND USE THEREOF BASF SE (DE) 2009-11-12 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-20100267893-A1 LIQUID STABILIZER MIXTURE NISCH, NPM1, PNN CA2 1036/4885GABRA1 2722/4885GABRB2 2353/4885

“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.