SCHEMBL4183286

SCHEMBL4183286

O=c1cc(-c2ccccn2)oc2cccc(CO)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.61
CYP1A1 P04798 3/20 0.48
CYP1A2 P05177 3/20 0.48
CYP1B1 Q16678 3/20 0.48
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 5/20 0.42
CYP3A4 P08684 4/20 0.42
AR P10275 3/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 2/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FTO Q9C0B1 1/20 0.42
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
ATM Q13315 1/20 0.39
CBFB Q13951 1/20 0.39
MAPK1 P28482 2/20 0.38
RAF1 P04049 1/20 0.38

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
SCHEMBL4174237 0.80 AHR (0.61) AHRCYP1A1CYP1A2CYP1B1MEN1
SCHEMBL28044360 0.79 CYP3A4 (0.66) AHRCYP1A1CYP1A2CYP1B1MEN1
SCHEMBL30307539 0.79 AHR (0.68) AHRCYP1A1CYP1A2CYP1B1CYP3A4
SCHEMBL5579211 0.79 AHR (0.68) AHRCYP1A1CYP1A2CYP1B1CYP3A4
SCHEMBL1645880 0.78 AR (0.50) CYP1A1CYP1A2CYP1B1MEN1KMT2A
SCHEMBL7082926 0.73 CYP1A2 (0.59) AHRCYP1A1CYP1A2CYP1B1CYP3A4
SCHEMBL29478404 0.69 GRM4 (0.61) AHRCYP1A1CYP1A2CYP1B1MAPT
SCHEMBL574760 0.69 GRM4 (0.61) AHRCYP1A1CYP1A2CYP1B1MAPT
Hydrochloric Acid SCHEMBL4181903 0.68 ALDH1A1 (0.67) AHRCYP1A1CYP1A2CYP1B1MEN1
SCHEMBL11561361 0.68 AHR (0.56) AHRCYP1A1CYP1A2CYP1B1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410109-B2 Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery by insertable medical devices RESVERLOGIX CORP. (CA) 2013-04-02 US disclosed
US-20090029987-A1 Pharmaceutical Compositions for the Prevention and Treatment of Complex Diseases and Their Delivery by Insertable Medical Devices RESVERLOGIX CORP. (CA) 2009-01-29 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-20090029987-A1 Pharmaceutical Compositions for the Prevention and Treatment of Complex Diseases and Their Delivery by Insertable Medical Devices VCAM1, ICAM1, TGFB1 AHR 707/4885CYP1A1 1221/4885CYP1A2 3340/4885

“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.