SCHEMBL1132865

SCHEMBL1132865

CCOc1cccc(C)c1CC(=O)c1ccc(-c2cccnc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 6/20 0.50
▸ MKNK2 Q9HBH9 6/20 0.50
▸ GRM5 P41594 1/20 0.43
▸ SLC2A1 P11166 1/20 0.42
▸ CYP19A1 P11511 3/20 0.42
▸ CYP11B1 P15538 2/20 0.42
▸ CYP11B2 P19099 2/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SGMS2 Q8NHU3 1/20 0.41
▸ SMPD1 P17405 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 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
SCHEMBL1132863 0.81 MKNK1 (0.52) MKNK1MKNK2GRM5SLC2A1CYP19A1
SCHEMBL13003033 0.73 L3MBTL1 (0.66) MKNK1MKNK2CYP19A1CYP11B1CYP11B2
SCHEMBL1132861 0.73 MKNK1 (0.61) MKNK1MKNK2GRM5SLC2A1CYP19A1
SCHEMBL5735824 0.73 MKNK1 (0.59) MKNK1MKNK2SLC2A1CYP19A1CYP11B1
SCHEMBL3384358 0.70 HDAC1 (0.55) MKNK1MKNK2CYP19A1CYP3A4CYP2D6
SCHEMBL15060908 0.69 MKNK1 (0.58) MKNK1MKNK2CYP19A1CYP3A4CYP2D6
SCHEMBL23646289 0.68 ADRA1D (0.57) MKNK1MKNK2CYP19A1CYP11B1CYP11B2
SCHEMBL16581142 0.68 MKNK1 (0.65) MKNK1MKNK2CYP19A1CYP11B1CYP11B2
SCHEMBL13527204 0.68 HDAC3 (0.59) MKNK1MKNK2CYP19A1CYP3A4CYP2D6
SCHEMBL29001632 0.68 MKNK1 (0.54) MKNK1MKNK2CYP19A1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2287141-B1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-10-21 — — EP disclosed
US-8237002-B2 Method for producing unsaturated organic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 — — US disclosed
US-20110046380-A1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-24 — — US disclosed
EP-2287141-A1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-02-23 — — 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 (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-20110046380-A1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND NIT2, NOS1, CHRM1 MKNK1 3839/4885MKNK2 3535/4885GRM5 2898/4885

“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.

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