SCHEMBL10001092

SCHEMBL10001092

COc1cc(-c2cc(=O)c3c(O)c(CO)c(CO)cc3o2)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.67
TAS2R31 P59538 1/20 0.67
CYP1B1 Q16678 4/20 0.64
MEN1 O00255 3/20 0.64
POLB P06746 3/20 0.64
MAPT P10636 3/20 0.64
KMT2A Q03164 3/20 0.64
CYP1A1 P04798 3/20 0.64
ALDH1A1 P00352 2/20 0.64
CYP1A2 P05177 2/20 0.64
ABCC1 P33527 1/20 0.64
CSNK2A2 P19784 4/20 0.61
CSNK2B P67870 4/20 0.61
CSNK2A1 P68400 4/20 0.61
PTGES O14684 1/20 0.59
ALOX5 P09917 1/20 0.59
KDM4E B2RXH2 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58

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
SCHEMBL10001095 0.92 CYP1B1 (0.67) HSD17B2TAS2R31CYP1B1MEN1POLB
SCHEMBL10001086 0.91 CYP1B1 (0.67) HSD17B2TAS2R31CYP1B1MEN1POLB
SCHEMBL10001093 0.91 HSD17B2 (0.73) HSD17B2TAS2R31CYP1B1MEN1POLB
SCHEMBL10001101 0.91 HSD17B2 (0.70) HSD17B2TAS2R31CYP1B1MEN1POLB
SCHEMBL10001103 0.90 HSD17B2 (0.66) HSD17B2TAS2R31CYP1B1MEN1POLB
SCHEMBL10001097 0.86 AKT1 (0.61) CYP1B1MEN1POLBMAPTKMT2A
SCHEMBL10001080 0.85 MAPT (0.64) CYP1B1MEN1POLBMAPTKMT2A
SCHEMBL10001094 0.84 HDAC6 (0.73) HSD17B2TAS2R31CYP1B1MEN1POLB
SCHEMBL10001100 0.83 CYP1B1 (0.69) HSD17B2TAS2R31CYP1B1MEN1POLB
SCHEMBL6239788 0.83 HSD17B2 (0.82) HSD17B2TAS2R31CYP1B1MEN1POLB

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 HSD17B2 2273/4885TAS2R31 899/4885CYP1B1 1037/4885

“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.