SCHEMBL19940311

SCHEMBL19940311

COC(=O)c1ccc([C@H](C)CC(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP4A11 Q02928 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 3/20 0.44
DPP4 P27487 2/20 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
SCHEMBL20982238 0.86 TDP1 (0.67) MAPTCA1CA2TDP1CA12
SCHEMBL29732761 0.84 MAPT (0.49) MAPTCA1CA2TDP1CA12
SCHEMBL1765145 0.84 MAPT (0.49) MAPTCA1CA2TDP1CA12
SCHEMBL24696132 0.84 MAPT (0.49) MAPTCA1CA2TDP1CA12
SCHEMBL19922898 0.84 MAPT (0.49) MAPTCA1CA2TDP1CA12
SCHEMBL1791209 0.84 L3MBTL1 (0.52) MAPTCA1CA2TDP1CA12
SCHEMBL16684851 0.84 L3MBTL1 (0.52) MAPTCA1CA2TDP1CA12
SCHEMBL14966780 0.84 CA1 (0.52) MAPTCA1CA2TDP1CA12
SCHEMBL14551348 0.83 DPP4 (0.56) MAPTCA1CA2TDP1CA12
SCHEMBL19922232 0.83 MAPT (0.47) MAPTCA1CA2TDP1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180064686-A1 INDOLE DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2018-03-08 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-20180064686-A1 INDOLE DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS GPR119, GIPR, GLP1R MAPT 4089/4885CA1 4216/4885CA2 2326/4885

“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.