SCHEMBL23743253

SCHEMBL23743253

COc1ccc(-c2nc(OC)c3ccccc3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.72
CYP1A2 P05177 3/20 0.72
KDM4E B2RXH2 3/20 0.72
ALDH1A1 P00352 2/20 0.72
HPGD P15428 1/20 0.72
CYP2C19 P33261 1/20 0.72
NR1I3 Q14994 2/20 0.71
CYP3A4 P08684 1/20 0.71
VDR P11473 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2B6 P20813 1/20 0.71
AHR P35869 1/20 0.71
CYP1A1 P04798 1/20 0.68
CYP1B1 Q16678 1/20 0.68
SYK P43405 1/20 0.67
ABCG2 Q9UNQ0 4/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
LMNA P02545 1/20 0.58
MAPK1 P28482 1/20 0.58

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
SCHEMBL31529342 0.90 MAPT (0.81) MAPTCYP1A2KDM4EALDH1A1HPGD
SCHEMBL1083965 0.90 MAPT (0.81) MAPTCYP1A2KDM4EALDH1A1HPGD
SCHEMBL7671789 0.87 GAA (0.76) MAPTCYP1A2KDM4EALDH1A1HPGD
SCHEMBL8148905 0.84 CYP1A2 (0.72) MAPTCYP1A2KDM4EALDH1A1HPGD
SCHEMBL1083765 0.84 MAPT (1.00) MAPTCYP1A2KDM4EALDH1A1HPGD
SCHEMBL16404287 0.84 CYP1A2 (0.68) MAPTCYP1A2KDM4EALDH1A1HPGD
SCHEMBL29496983 0.83 MAPT (0.68) MAPTCYP1A2KDM4EALDH1A1HPGD
SCHEMBL3738391 0.83 MAPT (0.68) MAPTCYP1A2KDM4EALDH1A1HPGD
SCHEMBL8140659 0.83 CYP1A2 (0.69) MAPTCYP1A2KDM4EALDH1A1HPGD
SCHEMBL29592179 0.83 CYP1A1 (0.97) CYP1A2KDM4ECYP1A1CYP1B1SYK

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-20210246109-A1 POTENT AND SELECTIVE INHIBITORS OF CYTOCHROME P450 UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2021-08-12 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-20210246109-A1 POTENT AND SELECTIVE INHIBITORS OF CYTOCHROME P450 CYP11B1, CYP1B1, CYP27A1 MAPT 4124/4885CYP1A2 18/4885KDM4E 3500/4885

“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.