SCHEMBL17148693

SCHEMBL17148693

COC(=O)c1c(C)c(Cl)cc(Br)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 2/20 0.40
ACHE P22303 1/20 0.40
POLB P06746 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
GUSB P08236 1/20 0.36
XDH P47989 1/20 0.36
NOTUM Q6P988 2/20 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
SCHEMBL8335189 0.79 NOTUM (0.46) TSHRGAALMNAHTTPOLB
SCHEMBL29570689 0.79 TSHR (0.44) TSHRGAALMNAHTTKDM4E
SCHEMBL22833407 0.79 TSHR (0.44) TSHRGAALMNAHTTPOLB
SCHEMBL23089733 0.79 TSHR (0.44) TSHRGAALMNAHTTKDM4E
SCHEMBL6828036 0.78 POLB (0.45) TSHRGAALMNAHTTCYP3A4
SCHEMBL5787779 0.77 NOTUM (0.43) TSHRGAALMNAHTTCYP3A4
SCHEMBL612875 0.75 CYP3A4 (0.47) TSHRGAALMNAHTTCYP3A4
SCHEMBL22645635 0.74 CYP3A4 (0.42) GAACYP3A4ACHEPOLBKDM4E
SCHEMBL18786888 0.74 CYP3A4 (0.46) TSHRGAALMNAHTTCYP3A4
SCHEMBL19079896 0.74 HSP90B1 (0.41) TSHRGAALMNAHTTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150284370-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2015-10-08 US disclosed
US-20150284370-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2015-10-08 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-20150284370-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL TSHR 4736/4885GAA 1128/4885LMNA 1888/4885

“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.