SCHEMBL20176653

SCHEMBL20176653

CCCc1cc(-c2cc(CCC)c(O)c(C(C)C)c2)cc(C(C)C)c1C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
GABRA1 P14867 8/20 0.36
GABRB2 P47870 6/20 0.36
GABRB1 P18505 4/20 0.36
GSR P00390 1/20 0.35
ALOX5 P09917 1/20 0.33
HSP90AB1 P08238 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRA6 Q16445 1/20 0.33
HMGCR P04035 1/20 0.32

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
SCHEMBL17935187 0.93 CA1 (0.59) CA1CA2GABRA1GABRB2GABRB1
SCHEMBL30360089 0.93 CA1 (0.59) CA1CA2GABRA1GABRB2GABRB1
SCHEMBL21790849 0.91 CA1 (0.57) CA1CA2GABRA1GABRB2GABRB1
SCHEMBL21790827 0.91 CA1 (0.63) CA1CA2GABRA1GABRB2GABRB1
SCHEMBL21790848 0.88 CA1 (0.63) CA1CA2GABRA1GABRB2GABRB1
SCHEMBL23617161 0.87 CA1 (0.52) CA1CA2GABRA1GABRB2GABRB1
SCHEMBL21784383 0.80 CA1 (0.44) CA1CA2GABRA1GABRB2GABRB1
SCHEMBL20176655 0.80 ALOX5 (0.40) CA1CA2GABRA1GABRB2ALOX5
SCHEMBL21790825 0.76 GABRA1 (0.62) CA1CA2GABRA1GABRB2GABRB1
SCHEMBL17323097 0.76 CA1 (0.81) CA1CA2GABRA1GABRB2GABRB1

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-20180141895-A1 DIPHENYL DERIVATIVE AND USES THEREOF XI'AN LIBANG PHARMACEUTICAL CO., LTD (CN) 2018-05-24 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-20180141895-A1 DIPHENYL DERIVATIVE AND USES THEREOF PPARD, DPP3, DPP7 CA1 2497/4885CA2 2753/4885GABRA1 547/4885

“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.