SCHEMBL6712474

SCHEMBL6712474

CC(C)OCC(O)COc1cccc2cc(C(=O)Nc3ccc(C#N)cc3-c3noc(=O)[nH]3)n(C)c12

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 1/20 0.34
ALK Q9UM73 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ABL1 P00519 1/20 0.32
TRPA1 O75762 1/20 0.32
LCK P06239 2/20 0.31
FYN P06241 1/20 0.31
HSD17B10 Q99714 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX15 P16050 1/20 0.30
CETP P11597 1/20 0.30
BRPF1 P55201 1/20 0.30
KDM1A O60341 1/20 0.30
ROCK1 Q13464 1/20 0.30
F11 P03951 1/20 0.30
KLKB1 P03952 1/20 0.30
HSP90AB1 P08238 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
SCHEMBL6707654 0.92 ALK (0.40) ALKLMNAMAPTRXFP1ABL1
SCHEMBL6707657 0.92 ALK (0.40) ALKLMNAMAPTRXFP1ABL1
SCHEMBL6713722 0.90 NR2E1 (0.35) NR2E1LMNAMAPTABL1SMN1; SMN2
SCHEMBL6708862 0.90 GRIK1 (0.36) NR2E1LMNAMAPTRXFP1ABL1
SCHEMBL6710269 0.88 SCN2A (0.35) MAPTRXFP1ABL1TRPA1BRPF1
SCHEMBL6708800 0.87 KDM1A (0.34) LMNAMAPTRXFP1LCKFYN
SCHEMBL6707714 0.86 NR2E1 (0.35) NR2E1ALKLMNAMAPTRXFP1
SCHEMBL6913240 0.86 ALK (0.37) ALKKDM1A
SCHEMBL6710160 0.86 TP53 (0.36) LMNAMAPTRXFP1HSD17B10SMN1; SMN2
SCHEMBL6708965 0.85 GCK (0.32) TRPA1LCKFYNKDM1AF11

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 2 patents. 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
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 NR2E1 2386/4885ALK 3005/4885LMNA 4062/4885

“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.