SCHEMBL3102945

SCHEMBL3102945

CCC(C(=O)O)n1nnc(-c2cc(OC3CCC(Oc4cc(F)ccc4Br)C3)no2)n1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD O00767 12/20 0.54
SCD5 Q86SK9 2/20 0.49
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3324364 0.90 SCD (0.43) SCDSCD5KDM4EALDH1A1HPGD
SCHEMBL3320588 0.90 SCD (0.50) SCDSCD5KDM4EALDH1A1HPGD
SCHEMBL3320580 0.90 SCD (0.50) SCDSCD5KDM4EALDH1A1HPGD
SCHEMBL3320581 0.90 SCD (0.50) SCDSCD5KDM4EALDH1A1HPGD
SCHEMBL3261795 0.87 SCD (0.46) SCDSCD5KDM4EALDH1A1HPGD
SCHEMBL3233175 0.87 SCD (0.45) SCDSCD5KDM4EALDH1A1HPGD
SCHEMBL3319925 0.87 SCD (0.46) SCDSCD5KDM4EALDH1A1HPGD
SCHEMBL473052 0.86 SCD (0.73) SCDSCD5
SCHEMBL3320435 0.85 SCD (0.74) SCDSCD5
SCHEMBL13332472 0.83 SCD (0.61) SCDSCD5ALDH1A1MAPK1

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-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-05-13 US disclosed
EP-2148878-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2010-02-03 EP disclosed
WO-2008128335-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-10-30 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-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.