SCHEMBL20106670

SCHEMBL20106670

COc1cc2cc(C(=O)Nc3ccccc3C(=O)O)c(=O)oc2cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.70
NPC1 O15118 6/20 0.70
KMT2A Q03164 3/20 0.70
MEN1 O00255 2/20 0.70
MAOB P27338 5/20 0.66
CHEK1 O14757 1/20 0.58
PIM1 P11309 1/20 0.58
MAPK8 P45983 1/20 0.58
CLK4 Q9HAZ1 1/20 0.58
MAPT P10636 4/20 0.58
ALDH1A1 P00352 3/20 0.58
GAA P10253 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MAOA P21397 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HPGD P15428 3/20 0.57
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
GPR35 Q9HC97 1/20 0.56
KDM4E B2RXH2 2/20 0.54

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
SCHEMBL16838624 0.90 MAOB (0.65) RAB9ANPC1KMT2AMEN1MAOB
SCHEMBL9606855 0.90 MAOB (0.65) RAB9ANPC1KMT2AMEN1MAOB
SCHEMBL12723220 0.89 RAB9A (0.62) RAB9ANPC1KMT2AMEN1MAOB
SCHEMBL16838626 0.89 RAB9A (0.57) RAB9ANPC1KMT2AMEN1MAOB
SCHEMBL13556232 0.86 NPC1 (0.73) RAB9ANPC1KMT2AMEN1MAOB
SCHEMBL17277766 0.84 MAOB (0.64) RAB9ANPC1KMT2AMEN1MAOB
SCHEMBL21024879 0.82 MAOB (0.61) RAB9ANPC1KMT2AMEN1MAOB
SCHEMBL13740054 0.81 CA12 (0.66) MAOBALDH1A1MAOAHPGDGPR35
SCHEMBL28563872 0.79 MAOB (0.68) RAB9ANPC1KMT2AMEN1MAOB
SCHEMBL19695913 0.79 GPR35 (0.51) RAB9ANPC1KMT2AMEN1MAOB

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-20180117050-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OCCURX PTY LTD (AU) 2018-05-03 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-20180117050-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA RAB9A 4497/4885NPC1 4173/4885KMT2A 2447/4885

“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.