SCHEMBL9740545

SCHEMBL9740545

COCOc1ccc2c(c1)CCC2=O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.57
HRH3 Q9Y5N1 3/20 0.56
MAOA P21397 9/20 0.51
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL20569292 0.91 MAOB (0.63) MAOBHRH3MAOA
SCHEMBL30103244 0.87 HRH3 (0.56) MAOBHRH3MAOA
SCHEMBL4815741 0.86 MAOB (0.63) MAOBHRH3MAOA
SCHEMBL27829011 0.84 MAOB (0.66) MAOBHRH3MAOA
SCHEMBL1915443 0.83 MAOB (0.60) MAOBHRH3MAOACASP1CASP7
SCHEMBL268592 0.81 KDM4E (0.56) MAOBHRH3CASP1CASP7HSD17B10
SCHEMBL14604954 0.81 MAOB (0.65) MAOBHRH3MAOA
SCHEMBL8272631 0.81 MAOB (0.69) MAOBHRH3MAOA
SCHEMBL29090878 0.80 MAOB (0.60) MAOBHRH3MAOACASP1CASP7
Water SCHEMBL28454486 0.80 KDM4E (0.54) MAOBHRH3CASP1CASP7HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380378-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA INC. (CA) 2022-12-01 US disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
WO-1992021661-A1 CYCLIC ANTITUMOR COMPOUNDS GLAXO INC. (US) 1992-12-10 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 (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-20220380378-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, NR5A1, ESRRA MAOB 594/4885HRH3 2948/4885MAOA 580/4885
US-20120035196-A1 CARBOXYLIC ACID COMPOUND GPR119, GPR65, GPR55 MAOB 3576/4885HRH3 766/4885MAOA 3319/4885

“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.