SCHEMBL3324072

SCHEMBL3324072

CCC(C(=O)O)n1nnc(-c2cc(OCCCCOc3cc(F)ccc3Br)no2)n1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 7/20 0.69
SCD5 Q86SK9 2/20 0.69
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
SMPD1 P17405 1/20 0.32
PPARG P37231 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CNR2 P34972 1/20 0.31
FABP3 P05413 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
SCHEMBL3321501 0.98 SCD (0.71) SCDSCD5KDM4EALDH1A1HPGD
SCHEMBL3324160 0.97 SCD (0.67) SCDSCD5KDM4EALDH1A1HPGD
SCHEMBL3324181 0.88 SCD (0.55) SCDSCD5KDM4EALDH1A1HPGD
SCHEMBL3320588 0.83 SCD (0.50) SCDSCD5KDM4EALDH1A1HPGD
SCHEMBL3320580 0.83 SCD (0.50) SCDSCD5KDM4EALDH1A1HPGD
SCHEMBL3320581 0.83 SCD (0.50) SCDSCD5KDM4EALDH1A1HPGD
SCHEMBL3329193 0.83 SCD (0.96) SCDSCD5FFAR1FFAR4
SCHEMBL3324745 0.83 SCD (0.59) SCDSCD5FFAR1FFAR4SMPD1
SCHEMBL3102945 0.83 SCD (0.54) SCDSCD5KDM4EALDH1A1HPGD
SCHEMBL3324193 0.82 MAPK1 (0.46) SCDSCD5KDM4EALDH1A1HPGD

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 2/4885KDM4E 2490/4885

“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.