SCHEMBL4092307

SCHEMBL4092307

CC(C)(C)c1ccc2c(O)nc(O)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HRH4 Q9H3N8 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.39
LMNA P02545 1/20 0.38
TYR P14679 1/20 0.38
KIF11 P52732 3/20 0.35
SCN10A Q9Y5Y9 5/20 0.35
KCNH2 Q12809 1/20 0.35
LRRK2 Q5S007 1/20 0.35
CYP2D6 P10635 1/20 0.34

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
SCHEMBL3911390 0.82 KDM4E (0.50) PKMKCNH2
SCHEMBL8403814 0.73 ALDH1A1 (0.44) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL3306872 0.72 MPO (0.41) ALOX15HRH4
SCHEMBL11209268 0.72 MDM4 (0.52) HRH3MEN1KMT2ALMNAKCNH2
SCHEMBL29487338 0.72 MPO (0.41) ALOX15HRH4
SCHEMBL2536405 0.72 KDM4E (0.46) MAPTMEN1KMT2AKCNH2
SCHEMBL11059904 0.71 ALDH1A1 (0.47) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL2174621 0.71 MPO (0.47) ALDH1A1HPGDHSD17B10MAPTMEN1
SCHEMBL9880939 0.71 ALDH1A1 (0.42) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL21849329 0.70 POLB (0.59) ALDH1A1HPGDALOX15HSD17B10TDP1

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-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 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-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 ALDH1A1 4857/4885HPGD 2098/4885ALOX15 1197/4885

“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.