SCHEMBL10001102

SCHEMBL10001102

COc1ccc(-c2cc(=O)c3c(O)c(O)c(CO)cc3o2)cc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 5/20 0.70
CYP1A1 P04798 4/20 0.70
AURKA O14965 1/20 0.70
KDR P35968 1/20 0.70
FLT3 P36888 1/20 0.70
AURKB Q96GD4 1/20 0.70
HDAC6 Q9UBN7 2/20 0.66
CYP1A2 P05177 2/20 0.66
KDM1A O60341 1/20 0.66
ABCC1 P33527 1/20 0.66
XDH P47989 1/20 0.66
IPMK Q8NFU5 1/20 0.66
IP6K2 Q9UHH9 1/20 0.66
OPRD1 P41143 1/20 0.58
HSD17B2 P37059 1/20 0.57
TAS2R31 P59538 1/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
POLB P06746 1/20 0.57

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
SCHEMBL10001100 0.92 CYP1B1 (0.69) CYP1B1CYP1A1AURKAKDRFLT3
SCHEMBL10001086 0.91 CYP1B1 (0.67) CYP1B1CYP1A1AURKAKDRFLT3
SCHEMBL10001101 0.91 HSD17B2 (0.70) CYP1B1CYP1A1AURKAKDRFLT3
SCHEMBL30787094 0.87 CYP1B1 (0.82) CYP1B1CYP1A1AURKAKDRFLT3
SCHEMBL6244246 0.87 CYP1B1 (0.82) CYP1B1CYP1A1AURKAKDRFLT3
SCHEMBL10001087 0.86 CYP1B1 (0.70) CYP1B1CYP1A1AURKAKDRFLT3
SCHEMBL10001098 0.86 KDM4E (0.61) CYP1B1CYP1A1FLT3HDAC6CYP1A2
SCHEMBL10001079 0.85 MAPT (0.67) CYP1B1CYP1A1FLT3CYP1A2IP6K2
SCHEMBL10001095 0.83 CYP1B1 (0.67) CYP1B1CYP1A1AURKAKDRFLT3
SCHEMBL8069022 0.82 FLT3 (0.86) CYP1B1CYP1A1AURKAKDRFLT3

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-20120029066-A1 USE OF FLAVONES FOR TREATING PSYCHIATRIC DISORDERS WITH SENSORIMOTOR GATING DEFICITS TAIPEI MEDICAL UNIVERSITY (TW) 2012-02-02 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-20120029066-A1 USE OF FLAVONES FOR TREATING PSYCHIATRIC DISORDERS WITH SENSORIMOTOR GATING DEFICITS HTR2C, GRIN2C, HTR5A CYP1B1 1037/4885CYP1A1 416/4885AURKA 4243/4885

“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.