SCHEMBL6238427

SCHEMBL6238427

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

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.78
TAS2R31 P59538 1/20 0.78
POLB P06746 5/20 0.73
MAPT P10636 5/20 0.73
CYP1A1 P04798 3/20 0.73
CYP1B1 Q16678 3/20 0.73
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
CYP1A2 P05177 2/20 0.73
ALDH1A1 P00352 2/20 0.73
ABCC1 P33527 1/20 0.73
CSNK2A2 P19784 3/20 0.70
CSNK2B P67870 3/20 0.70
CSNK2A1 P68400 3/20 0.70
OPRD1 P41143 1/20 0.68
HDAC6 Q9UBN7 1/20 0.67
AURKA O14965 1/20 0.67
KDR P35968 1/20 0.67
FLT3 P36888 1/20 0.67
AURKB Q96GD4 1/20 0.67

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
SCHEMBL30335183 0.92 HSD17B2 (0.82) HSD17B2TAS2R31POLBMAPTCYP1A1
SCHEMBL6240689 0.92 KDM4E (0.73) HSD17B2TAS2R31POLBMAPTCYP1A1
SCHEMBL29435880 0.92 KDM4E (0.73) HSD17B2TAS2R31POLBMAPTCYP1A1
SCHEMBL29906158 0.92 HSD17B2 (0.82) HSD17B2TAS2R31POLBMAPTCYP1A1
SCHEMBL6239788 0.92 HSD17B2 (0.82) HSD17B2TAS2R31POLBMAPTCYP1A1
SCHEMBL6243500 0.91 CYP1B1 (0.81) HSD17B2TAS2R31POLBMAPTCYP1A1
SCHEMBL30445988 0.91 CYP1B1 (0.81) HSD17B2TAS2R31POLBMAPTCYP1A1
Cirsileneol SCHEMBL2045672 0.90 HSD17B2 (0.86) HSD17B2TAS2R31POLBMAPTCYP1A1
Cirsileneol SCHEMBL29435128 0.90 HSD17B2 (0.86) HSD17B2TAS2R31POLBMAPTCYP1A1
SCHEMBL30787094 0.90 CYP1B1 (0.82) HSD17B2TAS2R31POLBMAPTCYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005020881-A2 COMPOSITIONS OF FLAVONOIDS AND FLAVONOID-CONTAINING EXTRACTS AND THE TREATMENT OF DISEASES SHANGHAI COMMAN PHARMACEUTICAL CO. (US) 2005-03-10 WO claimed
US-20050049206-A1 Compositions of flavonoids and flavonoid-containing extracts and the treatment of diseases SHANGHAI COMMAN PHARMACEUTICAL CO. LTD. (CN) 2005-03-03 US claimed
WO-2013021258-A1 ANTI-TUBERCULAR COMPOUNDS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-02-14 WO disclosed
US-20120029066-A1 USE OF FLAVONES FOR TREATING PSYCHIATRIC DISORDERS WITH SENSORIMOTOR GATING DEFICITS TAIPEI MEDICAL UNIVERSITY (TW) 2012-02-02 US disclosed
US-20050049206-A1 Compositions of flavonoids and flavonoid-containing extracts and the treatment of diseases SHANGHAI COMMAN PHARMACEUTICAL CO. LTD. (CN) 2005-03-03 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-20050049206-A1 Compositions of flavonoids and flavonoid-containing extracts and the treatment of diseases FNTA, COLGALT1, F3 HSD17B2 3032/4885TAS2R31 3223/4885POLB 849/4885
US-20120029066-A1 USE OF FLAVONES FOR TREATING PSYCHIATRIC DISORDERS WITH SENSORIMOTOR GATING DEFICITS HTR2C, GRIN2C, HTR5A HSD17B2 2273/4885TAS2R31 899/4885POLB 3613/4885

“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.