SCHEMBL911922

SCHEMBL911922

O=C1c2c(O)cc(O)cc2OCC1(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PTPN1 P18031 1/20 0.38
CYP19A1 P11511 5/20 0.37
CYP3A4 P08684 4/20 0.37
CYP1A1 P04798 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP1B1 Q16678 3/20 0.37
HSD17B10 Q99714 3/20 0.37
TTR P02766 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C9 P11712 2/20 0.37
CA12 O43570 2/20 0.37
SLCO2B1 O94956 2/20 0.37
CA4 P22748 2/20 0.37
PSMB5 P28074 2/20 0.37
CA7 P43166 2/20 0.37

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
SCHEMBL20550365 0.79 MAOA (0.45) ALDH1A1MAOAMAOBPTPN1CYP19A1
SCHEMBL29462263 0.75 MET (0.45) ALDH1A1MAOAMAOBPTPN1CYP19A1
SCHEMBL571667 0.73 CYP19A1 (0.41) ALDH1A1MAOAMAOBPTPN1CYP19A1
SCHEMBL3937086 0.71 MAOA (0.41) ALDH1A1MAOAMAOBCYP19A1CYP3A4
SCHEMBL1428288 0.71 ALDH1A1 (0.53) ALDH1A1MAOAMAOBPTPN1CYP19A1
SCHEMBL29993584 0.70 ALDH1A1 (0.37) ALDH1A1MAOAMAOBPTPN1CYP3A4
SCHEMBL28636154 0.70 MAPT (0.39) ALDH1A1MAOAMAOBCYP19A1CYP3A4
SCHEMBL8572826 0.68 CYP19A1 (0.37) ALDH1A1MAOAMAOBCYP19A1CYP3A4
SCHEMBL8575536 0.68 CYP19A1 (0.37) ALDH1A1MAOAMAOBCYP19A1CYP3A4
SCHEMBL3182940 0.68 MAOA (0.54) ALDH1A1MAOAMAOBPTPN1CYP19A1

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-7867993-B2 Preparation containing oxidized flavonoid derivatives MERCK PATENT GMBH (DE) 2011-01-11 US disclosed
US-20080319050-A1 Preparation Containing Oxidized Flavonoid Derivatives MERCK PATENT GMBH (DE) 2008-12-25 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-20080319050-A1 Preparation Containing Oxidized Flavonoid Derivatives NQO1, LPO, NDUFV2 ALDH1A1 339/4885MAOA 59/4885MAOB 40/4885

“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.