SCHEMBL3324070

SCHEMBL3324070

CCC(C(=O)O)n1nnc(-c2cc(OC[C@@H](C)CBr)no2)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SCD O00767 1/20 0.39
SCD5 Q86SK9 1/20 0.39
NPSR1 Q6W5P4 1/20 0.31
ADORA2B P29275 1/20 0.30

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
SCHEMBL3350358 1.00 KDM4E (0.44) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL3350351 1.00 KDM4E (0.44) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL3324193 0.85 MAPK1 (0.46) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL13332438 0.79 NPSR1 (0.51) ALDH1A1MAPK1HSD17B10SCDSCD5
SCHEMBL3323897 0.77 SMN1; SMN2 (0.60) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL3319892 0.77 KDM4E (0.51) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL3324160 0.76 SCD (0.67) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL3324072 0.75 SCD (0.69) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL3321501 0.75 SCD (0.71) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL3324181 0.72 SCD (0.55) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2

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 KDM4E 2490/4885ALDH1A1 2012/4885HPGD 1610/4885

“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.