SCHEMBL10001087

SCHEMBL10001087

COc1ccc(-c2cc(=O)c3c(O)c(CO)c(O)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
▸ FLT3 P36888 2/20 0.70
▸ AURKA O14965 1/20 0.70
▸ KDR P35968 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
▸ HSD17B2 P37059 1/20 0.60
▸ TAS2R31 P59538 1/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ NPC1 O15118 2/20 0.60
▸ POLB P06746 2/20 0.60
▸ MAPT P10636 2/20 0.60
▸ GFER P55789 2/20 0.60

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
SCHEMBL10001094 0.93 HDAC6 (0.73) CYP1B1CYP1A1FLT3AURKAKDR
SCHEMBL10001086 0.91 CYP1B1 (0.67) CYP1B1CYP1A1FLT3AURKAKDR
SCHEMBL10001093 0.91 HSD17B2 (0.73) CYP1B1CYP1A1FLT3AURKAKDR
SCHEMBL8304917 0.89 CYP1A1 (0.67) CYP1B1CYP1A1FLT3AURKAKDR
SCHEMBL8305265 0.87 CYP1B1 (0.65) CYP1B1CYP1A1FLT3AURKAKDR
SCHEMBL10001102 0.86 CYP1B1 (0.70) CYP1B1CYP1A1FLT3AURKAKDR
SCHEMBL10001096 0.86 FLT3 (0.72) CYP1B1CYP1A1FLT3CYP1A2IP6K2
SCHEMBL10001090 0.86 AKT1 (0.71) CYP1B1CYP1A1FLT3HDAC6CYP1A2
SCHEMBL30799172 0.85 FLT3 (0.86) CYP1B1CYP1A1FLT3AURKAKDR
SCHEMBL8069022 0.85 FLT3 (0.86) CYP1B1CYP1A1FLT3AURKAKDR

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 416/4885FLT3 3391/4885

“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.

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