SCHEMBL20132809

SCHEMBL20132809

CC(C)C1COC(=O)N1C(=O)[C@H](C)Cc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 5/20 0.50
STAT3 P40763 1/20 0.44
IDH1 O75874 6/20 0.41
MC4R P32245 7/20 0.40
PIK3CD O00329 1/20 0.39
CYP3A4 P08684 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
MC5R P33032 1/20 0.37
MC3R P41968 1/20 0.37
MC1R Q01726 1/20 0.37

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
SCHEMBL18174279 1.00 IL6ST (0.50) IL6STSTAT3IDH1MC4RPIK3CD
SCHEMBL18174223 1.00 IL6ST (0.50) IL6STSTAT3IDH1MC4RPIK3CD
SCHEMBL20132776 1.00 IL6ST (0.50) IL6STSTAT3IDH1MC4RPIK3CD
SCHEMBL18174256 1.00 IL6ST (0.50) IL6STSTAT3IDH1MC4RPIK3CD
SCHEMBL20132771 0.88 IL6ST (0.48) IL6STSTAT3IDH1
SCHEMBL7787910 0.88 IL6ST (0.64) IL6STSTAT3IDH1PIK3CD
SCHEMBL8812238 0.88 IL6ST (0.64) IL6STSTAT3IDH1PIK3CD
SCHEMBL8812243 0.88 IL6ST (0.64) IL6STSTAT3IDH1PIK3CD
SCHEMBL20132807 0.85 IL6ST (0.46) IL6STSTAT3IDH1PIK3CD
SCHEMBL20132820 0.85 IL6ST (0.46) IL6STSTAT3IDH1PIK3CD

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-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES CELLCENTRIC LTD (GB) 2018-05-10 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-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES EP300, HDAC3, HDAC1 IL6ST 374/4885STAT3 330/4885IDH1 82/4885

“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.