SCHEMBL23512911

SCHEMBL23512911

CCOc1ccc(C(C)CCC(C)(C)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
NQO1 P15559 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
RIPK1 Q13546 1/20 0.37
ESR1 P03372 2/20 0.36
AHR P35869 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACACB O00763 1/20 0.36

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
SCHEMBL23512941 0.83 NQO1 (0.52) MAOBNQO1ALDH1A1KDM4ENPC1
SCHEMBL19012408 0.77 ALDH1A1 (0.44) ALDH1A1NPC1CYP1A2MAPTGAA
SCHEMBL17718567 0.77 LMNA (0.41) ALDH1A1MAPTMAPK1SMN1; SMN2MEN1
SCHEMBL11947569 0.77 RIPK1 (0.61) ALDH1A1CYP1A2MAPTGAARIPK1
SCHEMBL18531479 0.75 ALDH1A1 (0.45) ALDH1A1KDM4ECYP1A2MAPTGAA
SCHEMBL19232137 0.73 NQO1 (0.56) MAOBNQO1ALDH1A1NPC1MAPT
SCHEMBL25956024 0.73 NQO1 (0.56) MAOBNQO1ALDH1A1KDM4ENPC1
SCHEMBL8962018 0.73 NQO1 (0.56) MAOBNQO1ALDH1A1KDM4ENPC1
SCHEMBL18896144 0.73 NQO1 (0.56) NQO1ALDH1A1NPC1MEN1KMT2A
SCHEMBL18494698 0.72 TP53 (0.40) GAARIPK1ACACB

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-11236065-B2 Pyridazinone compounds and uses thereof EDGEWISE THERAPECUTICS, INC. (US) 2022-02-01 US disclosed
US-20210179579-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-06-17 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-20210179579-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF IL6, IL1B, IL1A MAOB 927/4885NQO1 30/4885ALDH1A1 270/4885
US-11236065-B2 Pyridazinone compounds and uses thereof IL6, IL1B, IL1A MAOB 927/4885NQO1 30/4885ALDH1A1 270/4885

“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.