SCHEMBL138253

SCHEMBL138253

CC(C)(C)c1cccc(C(C)(C)C)c1[N]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.55
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
ALDH1A1 P00352 7/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.46
KIF11 P52732 1/20 0.39
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 4/20 0.33
CYP1A2 P05177 2/20 0.33
ALOX15 P16050 2/20 0.33
MAPT P10636 1/20 0.33
ATP2A2 P16615 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATP2A3 Q93084 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL794071 0.78 TDP1 (0.41) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL10523675 0.75 CA2 (0.60) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL141188 0.74 ALDH1A1 (0.50) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL29355273 0.74 ALDH1A1 (0.63) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL580584 0.74 ALDH1A1 (0.63) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL304569 0.73 CA2 (0.57) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL5061063 0.73 CA2 (0.57) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL4542810 0.71 CA2 (0.55) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL10752565 0.71 CA2 (0.55) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL22560744 0.71 CA2 (0.55) CA2GABRA1GABRB2ALDH1A1TDP1

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
EP-2415792-B1 COPOLYMER OF OLEFIN AND CONJUGATED DIENE, AND PROCESS FOR PRODUCING SAME MITSUI CHEMICALS INC (JP) 2014-11-12 EP disclosed
US-8513368-B2 Copolymer of olefin and conjugated diene, and process for producing the same MITSUI CHEMICALS, INC. (JP) 2013-08-20 US disclosed
US-20120059135-A1 COPOLYMER OF OLEFIN AND CONJUGATED DIENE, AND PROCESS FOR PRODUCING THE SAME MITSUI CHEMICALS, INC. (JP) 2012-03-08 US disclosed
EP-2415792-A1 COPOLYMER OF OLEFIN AND CONJUGATED DIENE, AND PROCESS FOR PRODUCING SAME Mitsui Chemicals, Inc. (JP) 2012-02-08 EP disclosed
US-20100267908-A1 Catalyst for olefin polymerization, process for producing olefin polymer, olefin copolymer, novel transition metal compound, and process for producing transition metal compound MITSUI CHEMICALS, INC. 2010-10-21 US disclosed
US-20070260026-A1 Catalyst for Olefin Polymerization Process for Producing Olefin Polymer, Olefin Copolymer, Novel Transition Metal Compound, and Process for Producing Transition Metal Compound MITSUI CHEMICALS, INC. 2007-11-08 US disclosed
EP-1788002-A1 CATALYSTS FOR OLEFIN POLYMERIZATION, PROCESS FOR PRODUCTION OF OLEFIN POLYMERS, OLEFIN COPOLYMERS, NOVEL TRANSITION METAL COMPOUNDS, AND PROCESS FOR PRODUCTION OF TRANSITION METAL COMPOUNDS Mitsui Chemicals, Inc. (JP) 2007-05-23 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 (2 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-20100267908-A1 Catalyst for olefin polymerization, process for producing olefin polymer, olefin copolymer, novel transition metal compound, and process for producing transition metal compound RB1, POF1B, CCNA1 CA2 2875/4885GABRA1 2706/4885GABRB2 3159/4885
US-20070260026-A1 Catalyst for Olefin Polymerization Process for Producing Olefin Polymer, Olefin Copolymer, Novel Transition Metal Compound, and Process for Producing Transition Metal Compound POF1B, RB1, CCNA1 CA2 2808/4885GABRA1 3052/4885GABRB2 3394/4885

“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.