SCHEMBL10001093

SCHEMBL10001093

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B2 P37059 1/20 0.73
▸ TAS2R31 P59538 1/20 0.73
▸ PTGES O14684 1/20 0.67
▸ ALOX5 P09917 1/20 0.67
▸ MEN1 O00255 4/20 0.66
▸ POLB P06746 4/20 0.66
▸ MAPT P10636 4/20 0.66
▸ KMT2A Q03164 4/20 0.66
▸ CYP1A1 P04798 3/20 0.66
▸ CYP1B1 Q16678 3/20 0.66
▸ ALDH1A1 P00352 2/20 0.66
▸ CYP1A2 P05177 2/20 0.66
▸ ABCC1 P33527 1/20 0.66
▸ CSNK2A2 P19784 3/20 0.64
▸ CSNK2B P67870 3/20 0.64
▸ CSNK2A1 P68400 3/20 0.64
▸ HDAC6 Q9UBN7 1/20 0.64
▸ KDM4E B2RXH2 3/20 0.60
▸ GAA P10253 2/20 0.60
▸ RECQL P46063 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) HSD17B2TAS2R31PTGESALOX5MEN1
SCHEMBL10001092 0.91 HSD17B2 (0.67) HSD17B2TAS2R31PTGESALOX5MEN1
SCHEMBL10001087 0.91 CYP1B1 (0.70) HSD17B2TAS2R31PTGESALOX5MEN1
SCHEMBL6239788 0.87 HSD17B2 (0.82) HSD17B2TAS2R31MEN1POLBMAPT
SCHEMBL30335183 0.87 HSD17B2 (0.82) HSD17B2TAS2R31MEN1POLBMAPT
SCHEMBL29906158 0.87 HSD17B2 (0.82) HSD17B2TAS2R31MEN1POLBMAPT
SCHEMBL10001101 0.86 HSD17B2 (0.70) HSD17B2TAS2R31MEN1POLBMAPT
SCHEMBL16769856 0.86 PTGES (0.84) HSD17B2TAS2R31PTGESALOX5MEN1
SCHEMBL29359086 0.86 PTGES (0.84) HSD17B2TAS2R31PTGESALOX5MEN1
SCHEMBL10001096 0.86 FLT3 (0.72) MEN1POLBMAPTKMT2ACYP1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170239211-A1 USE OF CHROMONE DERIVATIVE AS PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF FIBROSIS USING EMT INHIBITORY ACTIVITY OSTEONEUROGEN INC. (KR) 2017-08-24 — — US disclosed
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 (2 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-20170239211-A1 USE OF CHROMONE DERIVATIVE AS PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF FIBROSIS USING EMT INHIBITORY ACTIVITY CDH1, SMAD3, SMAD2 HSD17B2 220/4885TAS2R31 4176/4885PTGES 2172/4885
US-20120029066-A1 USE OF FLAVONES FOR TREATING PSYCHIATRIC DISORDERS WITH SENSORIMOTOR GATING DEFICITS HTR2C, GRIN2C, HTR5A HSD17B2 2273/4885TAS2R31 899/4885PTGES 3883/4885

“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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