SCHEMBL17318042

SCHEMBL17318042

COc1ccc(C2CC(=O)c3cc(O)cc(O)c3O2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP1B1 Q16678 1/20 0.67
CYP19A1 P11511 10/20 0.61
MAOB P27338 6/20 0.60
CYP3A4 P08684 1/20 0.60
MAPT P10636 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
ALDH1A1 P00352 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
ATM Q13315 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
TAS2R31 P59538 1/20 0.55
ABCG2 Q9UNQ0 2/20 0.54

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
SCHEMBL7200859 1.00 CYP1A1 (0.67) CYP1A1CYP1A2CYP1B1CYP19A1MAOB
SCHEMBL773767 0.89 CYP19A1 (0.66) CYP1A1CYP1A2CYP1B1CYP19A1MAOB
SCHEMBL349721 0.87 CYP19A1 (0.62) CYP1A1CYP1A2CYP1B1CYP19A1MAOB
SCHEMBL5084282 0.86 ABCG2 (0.68) CYP1A1CYP1A2CYP1B1CYP19A1MAOB
SCHEMBL6509053 0.85 CYP1A1 (0.68) CYP1A1CYP1A2CYP1B1CYP19A1CYP3A4
SCHEMBL2319144 0.85 CYP19A1 (0.68) CYP1A1CYP1A2CYP1B1CYP19A1CYP3A4
SCHEMBL1508800 0.84 CYP19A1 (0.64) CYP1A1CYP1A2CYP1B1CYP19A1MAOB
SCHEMBL2781916 0.82 MAPT (0.71) CYP1A1CYP1A2CYP1B1CYP19A1CYP3A4
SCHEMBL5084379 0.81 PTPN1 (0.51) CYP1A1CYP1A2CYP1B1CYP19A1CYP3A4
SCHEMBL27860085 0.81 CYP19A1 (0.51) CYP1A1CYP1A2CYP1B1CYP19A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170189372-A1 USE OF SUBSTITUTED CHROMAN COMPOUNDS INSTYTUT BIOLOGII MEDYCZNEJ (PL) 2017-07-06 US claimed
EP-3148527-A1 USE OF SUBSTITUTED CHROMAN COMPOUNDS Instytut Biologii Medycznej Polskiej Akademii Nauk (PL) 2017-04-05 EP claimed
WO-2015185515-A1 USE OF SUBSTITUTED CHROMAN COMPOUNDS INSTYTUT BIOLOGII MEDYCZNEJ (PL) 2015-12-10 WO claimed
US-20170189372-A1 USE OF SUBSTITUTED CHROMAN COMPOUNDS INSTYTUT BIOLOGII MEDYCZNEJ (PL) 2017-07-06 US disclosed
EP-3148527-A1 USE OF SUBSTITUTED CHROMAN COMPOUNDS Instytut Biologii Medycznej Polskiej Akademii Nauk (PL) 2017-04-05 EP disclosed
WO-2015185515-A1 USE OF SUBSTITUTED CHROMAN COMPOUNDS INSTYTUT BIOLOGII MEDYCZNEJ (PL) 2015-12-10 WO 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-20170189372-A1 USE OF SUBSTITUTED CHROMAN COMPOUNDS CHRM1, C5, THRB CYP1A1 168/4885CYP1A2 322/4885CYP1B1 161/4885

“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.