SCHEMBL6713698

SCHEMBL6713698

COc1ccc(-c2ccc3cc(C(=O)Nc4ccc(Cl)cc4-c4noc(=O)[nH]4)n(C)c3c2)c(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 1/20 0.40
CPT1B Q92523 1/20 0.40
LCK P06239 5/20 0.39
ROCK1 Q13464 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.37
F11 P03951 2/20 0.37
KLKB1 P03952 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GRIK1 P39086 1/20 0.36
FYN P06241 1/20 0.36
IMPDH2 P12268 1/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 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
SCHEMBL6714243 0.91 LCK (0.37) LCKROCK1MEN1KMT2AGRIK1
SCHEMBL6709959 0.89 LCK (0.38) LCKROCK1F11KLKB1FYN
SCHEMBL6711779 0.85 RXFP1 (0.43) ROCK1RXFP1HSD17B10MEN1KMT2A
SCHEMBL6710009 0.85 LCK (0.40) LCKROCK1RXFP1SCN10AMEN1
SCHEMBL6713660 0.84 ROCK1 (0.44) LCKROCK1RXFP1F11KLKB1
SCHEMBL6713081 0.83 ROCK1 (0.43) LCKROCK1RXFP1F11KLKB1
SCHEMBL6755069 0.82 MAPT (0.49) HSD17B10MEN1KMT2AGRIK1MAPT
SCHEMBL6707969 0.82 FTO (0.46) ROCK1RXFP1F11KLKB1GRIK1
SCHEMBL6711766 0.81 ROCK1 (0.42) LCKROCK1RXFP1F11KLKB1
SCHEMBL6713555 0.81 RXFP1 (0.46) ROCK1RXFP1HSD17B10F11KLKB1

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-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 CPT1A 4126/4885CPT1B 3699/4885LCK 4247/4885

“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.