SCHEMBL6736901

SCHEMBL6736901

c1ccc(Oc2ccc(-c3cc(-c4ccc(Oc5ccccc5)cc4)ncn3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
GSTP1 P09211 1/20 0.50
MIF P14174 1/20 0.50
ASIC3 Q9UHC3 1/20 0.50
LTA4H P09960 4/20 0.48
TSHR P16473 1/20 0.48
MCL1 Q07820 2/20 0.47
XDH P47989 1/20 0.47
KMO O15229 1/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
SCN4A P35499 2/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PIK3CD O00329 1/20 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
SCHEMBL22063717 0.81 SMN1; SMN2 (1.00) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL17697185 0.81 ASIC3 (0.65) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL18731738 0.81 ASIC3 (0.65) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL29730373 0.81 ASIC3 (0.65) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL284286 0.80 ASIC3 (0.71) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL29406194 0.78 ASIC3 (0.68) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL28218682 0.78 ASIC3 (0.68) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL27904874 0.78 ASIC3 (0.68) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL2194874 0.76 CYP1A2 (0.59) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL20220275 0.76 MAPK1 (0.68) NPC1RAB9ACYP2C19SMN1; SMN2TSHR

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-20040082627-A1 Certain aromatic monocycles as kinase modulators CGI PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-2004000820-A2 CERTAIN AROMATIC MONOCYCLES AS KINASE MODULATORS CELLULAR GENOMICS, INC. (US) 2003-12-31 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-20040082627-A1 Certain aromatic monocycles as kinase modulators MAP3K20, MAP3K1, MAP3K19 NPC1 3477/4885RAB9A 2270/4885CYP1A2 2476/4885

“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.