SCHEMBL3515838

SCHEMBL3515838

O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)cc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.77
MAPT P10636 7/20 0.77
KDM4E B2RXH2 6/20 0.77
SMN1; SMN2 Q16637 5/20 0.77
TP53 P04637 5/20 0.77
HSD17B10 Q99714 4/20 0.77
CYP19A1 P11511 4/20 0.77
ALOX15 P16050 3/20 0.77
ALOX12 P18054 1/20 0.77
CASP1 P29466 1/20 0.77
CASP7 P55210 1/20 0.77
CYP3A4 P08684 6/20 0.73
NPC1 O15118 4/20 0.73
ALDH1A1 P00352 4/20 0.73
MAPK1 P28482 4/20 0.73
IP6K2 Q9UHH9 3/20 0.73
RAB9A P51151 3/20 0.73
MAOA P21397 3/20 0.73
MAOB P27338 3/20 0.73
MPO P05164 2/20 0.73

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
SCHEMBL31552891 1.00 HPGD (0.77) HPGDMAPTKDM4ESMN1; SMN2TP53
Flavanone SCHEMBL980197 0.87 TP53 (1.00) HPGDMAPTKDM4ESMN1; SMN2TP53
Flavanone SCHEMBL29678059 0.87 TP53 (1.00) HPGDMAPTKDM4ESMN1; SMN2TP53
SCHEMBL2218499 0.87 POLH (0.75) HPGDMAPTKDM4ESMN1; SMN2TP53
SCHEMBL31167385 0.85 CYP3A4 (1.00) HPGDMAPTKDM4ESMN1; SMN2TP53
SCHEMBL157723 0.85 CYP3A4 (1.00) HPGDMAPTKDM4ESMN1; SMN2TP53
SCHEMBL31741263 0.85 MAPT (1.00) HPGDMAPTKDM4ESMN1; SMN2TP53
SCHEMBL6242651 0.85 HPGD (0.69) HPGDMAPTKDM4ESMN1; SMN2TP53
SCHEMBL311405 0.85 MAPT (1.00) HPGDMAPTKDM4ESMN1; SMN2TP53
SCHEMBL25201659 0.84 KDM4E (0.73) HPGDMAPTKDM4ESMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012102937-A2 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS IRM LLC (BM) 2012-08-02 WO claimed
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
US-9238821-B2 Metabolic engineering for plant disease resistance THE SAMUEL ROBERTS NOBLE FOUNDATION, INC. (US) 2016-01-19 US disclosed
WO-2012102937-A2 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS IRM LLC (BM) 2012-08-02 WO disclosed
US-20100319084-A1 METABOLIC ENGINEERING FOR PLANT DISEASE RESISTANCE THE SAMUEL ROBERTS NOBLE FOUNDATION 2010-12-16 US disclosed
WO-2007038875-A1 CCR5 RECEPTOR ANTAGONIST MOLECULES AVANCE PHARMA INC. (CA) 2007-04-12 WO 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 (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-20050049206-A1 Compositions of flavonoids and flavonoid-containing extracts and the treatment of diseases FNTA, COLGALT1, F3 HPGD 767/4885MAPT 2106/4885KDM4E 2663/4885

“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.