SCHEMBL3324764

SCHEMBL3324764

CCC(C(=O)O)n1nnnc1-c1cnc(OCCOc2cc(F)ccc2Br)cn1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.41
SCD5 Q86SK9 2/20 0.41
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.33
OXTR P30559 1/20 0.33
PKM P14618 1/20 0.31

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
SCHEMBL3326543 0.89 SCD (0.42) SCDSCD5FFAR1FFAR4PKM
SCHEMBL3328798 0.85 SCD (0.46) SCDSCD5FFAR1FFAR4
SCHEMBL3327447 0.84 SCD (0.56) SCDSCD5FFAR1FFAR4PKM
SCHEMBL3324745 0.81 SCD (0.59) SCDSCD5FFAR1FFAR4PTGDR2
SCHEMBL4511010 0.79 SCD (0.62) SCDSCD5
SCHEMBL3325378 0.78 SCD (0.51) SCDSCD5
SCHEMBL3323558 0.75 SCD (0.47) SCDSCD5FFAR1FFAR4
SCHEMBL3263788 0.74 SCD (0.66) SCDSCD5FFAR1FFAR4
SCHEMBL3320117 0.73 SCD (0.38) SCDSCD5FFAR1FFAR4OXTR
SCHEMBL3324160 0.71 SCD (0.67) SCDSCD5FFAR1FFAR4PKM

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-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-05-13 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-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, ACSL6 SCD 1/4885SCD5 2/4885FFAR1 240/4885

“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.