SCHEMBL10001096

SCHEMBL10001096

COc1ccc(-c2cc(=O)c3c(O)c(CO)c(O)cc3o2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 6/20 0.72
▸ MEN1 O00255 5/20 0.72
▸ NPC1 O15118 5/20 0.72
▸ MAPT P10636 5/20 0.72
▸ KMT2A Q03164 5/20 0.72
▸ RAB9A P51151 3/20 0.72
▸ POLB P06746 3/20 0.72
▸ KIT P10721 1/20 0.72
▸ NFKB1 P19838 1/20 0.72
▸ OPRD1 P41143 1/20 0.72
▸ NFKB2 Q00653 1/20 0.72
▸ RELA Q04206 1/20 0.72
▸ MAOB P27338 2/20 0.67
▸ CYP19A1 P11511 1/20 0.67
▸ IP6K2 Q9UHH9 2/20 0.65
▸ TDP1 Q9NUW8 2/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ CYP3A4 P08684 2/20 0.65
▸ CYP2C9 P11712 2/20 0.65
▸ CYP2C19 P33261 2/20 0.65

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
SCHEMBL10001080 0.89 MAPT (0.64) FLT3MEN1NPC1MAPTKMT2A
SCHEMBL10001085 0.89 MAPT (0.71) FLT3MEN1NPC1MAPTKMT2A
SCHEMBL19354052 0.86 FLT3 (0.67) FLT3MEN1NPC1MAPTKMT2A
SCHEMBL10001088 0.86 KMT2A (0.72) FLT3MEN1NPC1MAPTKMT2A
SCHEMBL6242511 0.86 KMT2A (0.81) FLT3MEN1NPC1MAPTKMT2A
SCHEMBL10001087 0.86 CYP1B1 (0.70) FLT3MEN1NPC1MAPTKMT2A
SCHEMBL10001094 0.86 HDAC6 (0.73) FLT3MEN1NPC1MAPTKMT2A
SCHEMBL10001093 0.86 HSD17B2 (0.73) FLT3MEN1NPC1MAPTKMT2A
SCHEMBL10001079 0.84 MAPT (0.67) FLT3MEN1NPC1MAPTKMT2A
Pectolinarigenin SCHEMBL29606971 0.84 MAPT (1.00) FLT3MEN1NPC1MAPTKMT2A

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 FLT3 3391/4885MEN1 4859/4885NPC1 4313/4885

“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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