SCHEMBL13213664

SCHEMBL13213664

Cc1ccc(F)cc1OC1CCN(c2ncc3[nH]c(SCC(=O)O)nc3n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 12/20 0.50
PRKAG1 P54619 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
RBP4 P02753 1/20 0.39
TTR P02766 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NR3C1 P04150 3/20 0.37
ENPP1 P22413 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 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
SCHEMBL13958570 0.90 SCD (0.64) SCDPRKAG1PRKAA1PRKAB1
SCHEMBL2764346 0.78 SCD (0.63) SCD
SCHEMBL13213680 0.74 SCD (0.43) SCD
SCHEMBL2764334 0.74 SCD (0.57) SCD
SCHEMBL2764381 0.70 SCD (0.59) SCD
SCHEMBL3341516 0.70 SCD (0.74) SCD
SCHEMBL3009182 0.69 SCD (0.74) SCD
SCHEMBL4682397 0.68 EPHX2 (0.46) SCDRBP4TTR
SCHEMBL3023463 0.67 SCD (0.63) SCD
SCHEMBL13213668 0.66 SCD (0.58) SCD

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-20100197692-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2010-08-05 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-20100197692-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, CPT1A SCD 1/4885PRKAG1 1067/4885PRKAA1 375/4885

“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.