SCHEMBL4235371

SCHEMBL4235371

O=c1c(O)c(-c2ccc3c(c2)OCCO3)oc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
MAPT P10636 4/20 0.56
KDM4E B2RXH2 3/20 0.56
MEN1 O00255 3/20 0.56
CASP1 P29466 3/20 0.56
CASP7 P55210 3/20 0.56
KMT2A Q03164 3/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
TP53 P04637 2/20 0.56
ALOX12 P18054 1/20 0.56
HTT P42858 1/20 0.56
MAOB P27338 8/20 0.56
MAOA P21397 2/20 0.56
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 2/20 0.48

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
SCHEMBL20169884 0.86 CYP3A4 (0.61) CYP3A4CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL27491848 0.85 KDM4E (0.66) CYP3A4CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL4164670 0.84 MAPT (0.60) CYP3A4CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL25022832 0.81 ABCG2 (0.73) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL31031167 0.79 AR (0.58) CYP3A4MAPTKDM4EMEN1CASP1
SCHEMBL17523229 0.79 MAPT (0.61) CYP3A4CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL2395500 0.78 KDM4E (0.67) CYP3A4CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL30667382 0.77 ABCG2 (0.58) CYP3A4MAPTKDM4EMEN1CASP1
SCHEMBL4160691 0.77 MAPT (0.54) CYP3A4MAPTKDM4EMEN1CASP1
SCHEMBL1180406 0.76 ABCG2 (0.57) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090182133-A1 BENZOPYRANONE DERIVATIVES AND THEIR USE AS ANTI-VIRAL AGENTS SINGAPORE POLYTECHNIC 2009-07-16 US disclosed
EP-1968569-A4 BENZOPYRANONE DERIVATIVES AND THEIR USE AS ANTI-CORONAVIRAL AGENTS SINGAPORE POLYTECHNIC (SG) 2008-12-17 EP disclosed
EP-1968569-A1 BENZOPYRANONE DERIVATIVES AND THEIR USE AS ANTI-CORONAVIRAL AGENTS Singapore Polytechnic (SG) 2008-09-17 EP disclosed
WO-2007075145-A1 BENZOPYRANONE DERIVATIVES AND THEIR USE AS ANTI-CORONAVIRAL AGENTS SINGAPORE POLYTECHNIC (SG) 2007-07-05 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-20090182133-A1 BENZOPYRANONE DERIVATIVES AND THEIR USE AS ANTI-VIRAL AGENTS SARS1, MAVS, ACE2 CYP3A4 222/4885CYP1A2 819/4885CYP2D6 588/4885

“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.