SCHEMBL19470004

SCHEMBL19470004

O=c1c(O)c(-c2ccc(OP(=O)(O)O)cc2)oc2cc(O)cc(O)c12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.72
ABCB1 P08183 7/20 0.72
CYP1A1 P04798 7/20 0.72
CYP1B1 Q16678 7/20 0.72
FTO Q9C0B1 6/20 0.72
MAOA P21397 5/20 0.72
MEN1 O00255 9/20 0.70
KMT2A Q03164 9/20 0.70
CYP3A4 P08684 8/20 0.70
CYP2C9 P11712 6/20 0.70
XDH P47989 6/20 0.70
MAPT P10636 6/20 0.70
KDM4E B2RXH2 6/20 0.70
HSD17B10 Q99714 6/20 0.70
APP P05067 6/20 0.70
CYP2D6 P10635 5/20 0.70
ALOX15 P16050 5/20 0.70
IPMK Q8NFU5 5/20 0.70
IP6K2 Q9UHH9 5/20 0.70
TDP1 Q9NUW8 5/20 0.70

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
SCHEMBL19469992 0.89 MAOA (0.71) CYP1A2ABCB1CYP1A1CYP1B1FTO
Kaempferol SCHEMBL31277388 0.86 MEN1 (0.89) CYP1A2ABCB1CYP1A1CYP1B1FTO
SCHEMBL117527 0.86 CYP1A2 (0.73) CYP1A2ABCB1CYP1A1CYP1B1FTO
Quercetin-3'-O-Phosphate SCHEMBL30814958 0.86 CYP1A2 (0.73) CYP1A2ABCB1CYP1A1CYP1B1FTO
Quercetin-3'-O-Phosphate SCHEMBL30299021 0.86 CYP1A2 (0.73) CYP1A2ABCB1CYP1A1CYP1B1FTO
Quercetin-3'-O-Phosphate SCHEMBL118113 0.86 CYP1A2 (0.73) CYP1A2ABCB1CYP1A1CYP1B1FTO
SCHEMBL120585 0.85 CYP1A2 (0.67) CYP1A2ABCB1CYP1A1CYP1B1FTO
SCHEMBL19469990 0.84 MEN1 (0.72) CYP1A2ABCB1CYP1A1CYP1B1FTO
Kaempferide SCHEMBL29371282 0.84 CYP1A2 (1.00) CYP1A2ABCB1CYP1A1CYP1B1FTO
Kaempferide SCHEMBL426774 0.84 CYP1A2 (1.00) CYP1A2ABCB1CYP1A1CYP1B1FTO

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
US-10421768-B2 Method of biotransformation of benzopyrone compounds into the corresponding phosphate-conjugated derivatives NATIONAL TAIWAN UNIVERSITY (TW) 2019-09-24 US disclosed
US-10421768-B2 Method of biotransformation of benzopyrone compounds into the corresponding phosphate-conjugated derivatives NATIONAL TAIWAN UNIVERSITY (TW) 2019-09-24 US disclosed
US-20170305944-A1 METHOD OF BIOTRANSFORMATION OF BENZOPYRONE COMPOUNDS INTO THE CORRESPONDING PHOSPHATE-CONJUGATED DERIVATIVES NATIONAL TAIWAN UNIVERSITY (TW) 2017-10-26 US disclosed
US-20170305944-A1 METHOD OF BIOTRANSFORMATION OF BENZOPYRONE COMPOUNDS INTO THE CORRESPONDING PHOSPHATE-CONJUGATED DERIVATIVES NATIONAL TAIWAN UNIVERSITY (TW) 2017-10-26 US disclosed
US-20170305944-A1 METHOD OF BIOTRANSFORMATION OF BENZOPYRONE COMPOUNDS INTO THE CORRESPONDING PHOSPHATE-CONJUGATED DERIVATIVES NATIONAL TAIWAN UNIVERSITY (TW) 2017-10-26 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-10421768-B2 Method of biotransformation of benzopyrone compounds into the corresponding phosphate-conjugated derivatives BPGM, PNKP, DHPS CYP1A2 82/4885ABCB1 187/4885CYP1A1 171/4885
US-20170305944-A1 METHOD OF BIOTRANSFORMATION OF BENZOPYRONE COMPOUNDS INTO THE CORRESPONDING PHOSPHATE-CONJUGATED DERIVATIVES BPGM, PNKP, DHPS CYP1A2 82/4885ABCB1 187/4885CYP1A1 171/4885

“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.