SCHEMBL10001099

SCHEMBL10001099

COc1ccc(-c2cc(=O)c3c(OC)c(CO)c(O)cc3o2)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.72
CYP1B1 Q16678 5/20 0.70
CYP1A1 P04798 4/20 0.70
CYP1A2 P05177 2/20 0.70
OPRD1 P41143 1/20 0.70
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
ABCB1 P08183 2/20 0.69
ABCG2 Q9UNQ0 2/20 0.69
TP53 P04637 1/20 0.69
MDM2 Q00987 1/20 0.69
HSD17B2 P37059 1/20 0.62
TAS2R31 P59538 1/20 0.62
AURKA O14965 1/20 0.62
KDR P35968 1/20 0.62
FLT3 P36888 1/20 0.62
AURKB Q96GD4 1/20 0.62
MAPT P10636 5/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP3A4 P08684 2/20 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
SCHEMBL10001094 0.90 HDAC6 (0.73) HDAC6CYP1B1CYP1A1CYP1A2OPRD1
SCHEMBL8052891 0.89 HDAC6 (0.69) HDAC6CYP1B1CYP1A1CYP1A2OPRD1
SCHEMBL10001084 0.89 ABCB1 (0.69) HDAC6CYP1B1CYP1A1CYP1A2OPRD1
SCHEMBL7606758 0.87 HDAC6 (0.84) HDAC6CYP1B1CYP1A1CYP1A2OPRD1
SCHEMBL30375958 0.87 HDAC6 (0.84) HDAC6CYP1B1CYP1A1CYP1A2OPRD1
SCHEMBL10001085 0.86 MAPT (0.71) CYP1B1CYP1A1CYP1A2OPRD1MEN1
SCHEMBL10001103 0.85 HSD17B2 (0.66) HDAC6CYP1B1CYP1A1CYP1A2OPRD1
Eupatilin SCHEMBL1033509 0.84 HDAC6 (1.00) HDAC6CYP1B1CYP1A1CYP1A2OPRD1
Eupatilin SCHEMBL29568655 0.84 HDAC6 (1.00) HDAC6CYP1B1CYP1A1CYP1A2OPRD1
Eupatilin SCHEMBL29926197 0.84 HDAC6 (1.00) HDAC6CYP1B1CYP1A1CYP1A2OPRD1

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 HDAC6 4158/4885CYP1B1 1037/4885CYP1A1 416/4885

“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.