SCHEMBL14010503

SCHEMBL14010503

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.57
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
CA4 P22748 3/20 0.57
CA9 Q16790 3/20 0.57
KMT2A Q03164 5/20 0.51
AKR1C3 P42330 2/20 0.50
TOP2A P11388 3/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
CYP2C9 P11712 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
VCP P55072 2/20 0.46
TTR P02766 1/20 0.45
MEN1 O00255 4/20 0.44
KDM4E B2RXH2 3/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 2/20 0.44
CYP3A4 P08684 2/20 0.44

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
SCHEMBL14010486 0.89 KMT2A (0.54) CA12CA1CA2CA4CA9
SCHEMBL14036186 0.86 AKR1C3 (0.52) KMT2AAKR1C3TOP2ANPC1RAB9A
SCHEMBL2762653 0.81 KDM4E (0.62) KMT2ACYP2C9MEN1KDM4ERECQL
SCHEMBL1535310 0.80 CA12 (0.56) CA12CA1CA2CA4CA9
SCHEMBL4395475 0.80 CA12 (0.56) CA12CA1CA2CA4CA9
SCHEMBL4126593 0.78 CA12 (0.66) CA12CA1CA2CA4CA9
SCHEMBL4126589 0.78 CA12 (0.66) CA12CA1CA2CA4CA9
SCHEMBL14036188 0.78 AKR1C3 (0.50) KMT2AAKR1C3TOP2ANPC1RAB9A
SCHEMBL2764187 0.77 KDM4E (0.60) KMT2ACYP2C9MEN1KDM4ERECQL
SCHEMBL5278406 0.77 CA12 (0.51) CA12CA1CA2CA4CA9

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 CA12 2846/4885CA1 2747/4885CA2 686/4885

“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.