SCHEMBL14010486

SCHEMBL14010486

COc1cc(/C=C/C(=O)Oc2ccccc2C(=O)O)ccc1OC(=O)CO[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
VCP P55072 2/20 0.48
AKR1C3 P42330 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA9 Q16790 2/20 0.47
MEN1 O00255 3/20 0.47
HPGD P15428 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 2/20 0.47
HIF1A Q16665 2/20 0.47
CYP2C9 P11712 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HSD17B10 Q99714 2/20 0.47

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
SCHEMBL14010503 0.89 CA12 (0.57) KMT2AVCPAKR1C3CA12CA1
SCHEMBL14036188 0.85 AKR1C3 (0.50) KMT2AAKR1C3MEN1HPGDNPC1
SCHEMBL554801 0.79 KDM4E (0.55) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL3004206 0.78 KMT2A (0.57) KMT2AVCPCA12CA1CA2
SCHEMBL3004211 0.78 KMT2A (0.57) KMT2AVCPCA12CA1CA2
SCHEMBL14036186 0.78 AKR1C3 (0.52) KMT2AAKR1C3MEN1HPGDNPC1
Aspirin SCHEMBL27597775 0.77 NFKB1 (0.56) KMT2ACA12CA4CA9MEN1
SCHEMBL4126593 0.74 CA12 (0.66) KMT2AVCPCA12CA1CA2
SCHEMBL4126589 0.74 CA12 (0.66) KMT2AVCPCA12CA1CA2
SCHEMBL4129197 0.72 CA12 (0.71) KMT2AVCPCA12CA1CA2

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-20080293781-A1 Salicylic Acid Derivatives NICOX S.A. (FR) 2008-11-27 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-20080293781-A1 Salicylic Acid Derivatives PTGS2, PTGS1, PTGES2 KMT2A 2780/4885VCP 4243/4885AKR1C3 500/4885

“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.