SCHEMBL15764483

SCHEMBL15764483

CCCCOc1ccc(C[C@@H](C)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 17/20 0.62
ITGB3 P05106 1/20 0.58
ITGA2B P08514 1/20 0.58

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
SCHEMBL9650533 0.91 ITGB3 (0.57) ACACBITGB3ITGA2B
SCHEMBL9650513 0.90 ITGB3 (0.56) ACACBITGB3ITGA2B
SCHEMBL9650211 0.90 ITGB3 (0.56) ACACBITGB3ITGA2B
SCHEMBL256796 0.86 ACACB (0.62) ACACB
SCHEMBL8246768 0.85 ITGB3 (0.56) ACACBITGB3ITGA2B
SCHEMBL6685168 0.85 ITGB3 (0.79) ITGB3ITGA2B
SCHEMBL14051416 0.85 ITGB3 (0.56) ACACBITGB3ITGA2B
SCHEMBL6998950 0.85 ITGB3 (0.79) ITGB3ITGA2B
SCHEMBL8732422 0.85 HDAC8 (0.53) ACACBITGB3ITGA2B
SCHEMBL8732428 0.85 HDAC8 (0.53) ACACBITGB3ITGA2B

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-20140155355-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY, INC. 2014-06-05 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-20140155355-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 ACACB 85/4885ITGB3 4047/4885ITGA2B 2763/4885

“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.