SCHEMBL9112868

SCHEMBL9112868

C[C@@H](COc1ccc(-c2nc3ccc(O)cc3o2)nc1)NC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.45
ACACA Q13085 2/20 0.45
ESR1 P03372 6/20 0.43
ESR2 Q92731 6/20 0.43
APP P05067 6/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F2RL3 Q96RI0 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 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
SCHEMBL16613050 0.93 MAPT (0.41) ACACBACACAESR1ESR2APP
SCHEMBL9114681 0.89 ACACB (0.46) ACACBACACAAPPMAPTPOLB
SCHEMBL9114852 0.89 ACACB (0.46) ACACBACACAAPPMAPTPOLB
SCHEMBL9112686 0.88 ACACB (0.46) ACACBACACAAPPMAPTPOLB
SCHEMBL9112645 0.87 ACACB (0.47) ACACBACACAAPPMAPTPOLB
SCHEMBL9114047 0.85 ESR1 (0.40) ACACBACACAESR1ESR2APP
SCHEMBL9113322 0.85 ACACB (0.43) ACACBACACAAPPMAPTPOLB
SCHEMBL9113117 0.85 ACACB (0.61) ACACBACACAF2RL3
SCHEMBL15968429 0.85 ACACB (0.61) ACACBACACAF2RL3
SCHEMBL9110012 0.82 ACACB (0.52) ACACBACACAF2RL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649062-B1 BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) TAKEDA PHARMACEUTICAL (JP) 2015-04-08 EP disclosed
US-8729102-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-20 US disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 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-20120142714-A1 BICYCLIC COMPOUND ACACA, ACACB, FABP4 ACACB 2/4885ACACA 1/4885ESR1 3078/4885

“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.