SCHEMBL3187259

SCHEMBL3187259

COc1ccc(-c2cccc(-c3ccc(OC)cc3)c2S)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.57
ABCB1 P08183 3/20 0.57
BCR P11274 3/20 0.57
HDAC4 P56524 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
APP P05067 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
BACE1 P56817 1/20 0.46
ENPP1 P22413 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
ESR2 Q92731 1/20 0.45
PTPN1 P18031 1/20 0.44
PTGS2 P35354 2/20 0.44
HTR1A P08908 1/20 0.44

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
SCHEMBL12715050 0.81 ABL1 (0.79) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL7278655 0.81 ABL1 (0.60) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL6267998 0.80 ABL1 (0.50) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL15743720 0.80 ABL1 (0.59) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL28223305 0.80 PRSS1 (0.46) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL11096260 0.79 ABL1 (0.76) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL3170294 0.79 CYP3A4 (0.52) HDAC4HDAC8CA1CA2CA7
Bromide SCHEMBL3130114 0.79 ABL1 (0.49) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL6319062 0.78 ABL1 (0.57) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL7150733 0.78 HDAC4 (0.70) ABL1ABCB1BCRHDAC4HDAC2

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-2133357-B1 LIVING RADICAL POLYMERIZATION PROMOTER OTSUKA CHEMICAL CO LTD (JP) 2016-11-16 EP disclosed
US-8076430-B2 Living radical polymerization promoter OTSUKA CHEMICAL CO., LTD. (JP) 2011-12-13 US disclosed
US-20100022728-A1 LIVING RADICAL POLYMERIZATION PROMOTER OTSUKA CHEMICAL CO., LTD. (JP) 2010-01-28 US disclosed
EP-2133357-A1 LIVING RADICAL POLYMERIZATION PROMOTER Otsuka Chemical Holdings Co., Ltd. (JP) 2009-12-16 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-20100022728-A1 LIVING RADICAL POLYMERIZATION PROMOTER DNMT1, CYP1B1, DNMT3B ABL1 3207/4885ABCB1 2231/4885BCR 631/4885

“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.