SCHEMBL4254096

SCHEMBL4254096

COc1cccc2c1C(=O)CC1(CCNCC1)O2

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.55
HTR2C P28335 1/20 0.50

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
Hydrochloric Acid SCHEMBL8564648 0.99 ACACB (0.54) ACACBHTR2C
SCHEMBL20480419 0.86 ACACB (0.54) ACACBHTR2C
SCHEMBL3791716 0.84 ACACB (0.41) ACACBHTR2C
Hydrochloric Acid SCHEMBL3712745 0.83 ACACB (0.41) ACACBHTR2C
SCHEMBL3709050 0.82 HTR2C (0.45) ACACBHTR2C
SCHEMBL13636479 0.81 HDAC3 (0.41) ACACBHTR2C
SCHEMBL4511692 0.81 ACACB (0.40) ACACB
SCHEMBL3792752 0.80 HDAC3 (0.40) ACACBHTR2C
SCHEMBL3708949 0.80 HDAC3 (0.43) ACACBHTR2C
SCHEMBL1590677 0.80 HTR2C (0.45) ACACBHTR2C

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
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 US disclosed
EP-2097420-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Products Inc. (US) 2009-09-09 EP disclosed
WO-2008065508-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER PRODUCTS INC. (US) 2008-06-05 WO 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-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB ACACB 3/4885HTR2C 4715/4885

“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.