SCHEMBL3176963

SCHEMBL3176963

CCC(C)c1cccc(C(C)CC)c1S

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
RORC P51449 1/20 0.37
GABRA1 P14867 4/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
GABRB2 P47870 3/20 0.36
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
GABRB1 P18505 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 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
SCHEMBL1972902 0.91 TSHR (0.52) TSHRRORCGABRA1GABRG2GABRB3
SCHEMBL944816 0.83 TSHR (0.64) TSHRRORCGABRA1GABRB2LMNA
SCHEMBL994607 0.79 TSHR (0.73) TSHRRORCGABRA1GABRG2GABRB3
SCHEMBL2371854 0.78 TSHR (0.58) TSHRRORCGABRA1GABRG2GABRB3
SCHEMBL18745640 0.78 TSHR (0.58) TSHRRORCGABRA1GABRG2GABRB3
SCHEMBL202737 0.78 TSHR (0.58) TSHRRORCGABRA1GABRG2GABRB3
SCHEMBL9683779 0.76 TSHR (0.56) TSHRRORCGABRA1GABRG2GABRB3
SCHEMBL561299 0.76 TSHR (0.68) TSHRRORCGABRA1GABRG2GABRB3
SCHEMBL560346 0.76 TSHR (0.68) TSHRRORCGABRA1GABRG2GABRB3
SCHEMBL560318 0.76 TSHR (0.68) TSHRRORCGABRA1GABRG2GABRB3

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 TSHR 2922/4885RORC 2466/4885GABRA1 3794/4885

“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.