SCHEMBL17465376

SCHEMBL17465376

CC1=C(C)C(=O)C(CCc2nccs2)=C(C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.36
FDPS P14324 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
ALOX15 P16050 2/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
DRD4 P21917 1/20 0.30

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
SCHEMBL1144347 0.81 ALOX15 (0.35) SLC6A3FDPSCYP1A2CYP2C9ALDH1A1
SCHEMBL8671012 0.75 FDPS (0.47) SLC6A3FDPSCYP2C19ALDH1A1CHRM2
SCHEMBL16067080 0.73 SLC6A3 (0.36) SLC6A3ALOX15
SCHEMBL257550 0.68
SCHEMBL10425000 0.68
SCHEMBL841788 0.68
SCHEMBL16067090 0.67 TERT (0.44) FDPSALDH1A1ALOX15
SCHEMBL1985743 0.66
SCHEMBL559034 0.65
SCHEMBL1628172 0.65

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-20160024085-A1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS, INC. 2016-01-28 US disclosed
US-20160024085-A1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS, INC. 2016-01-28 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-20160024085-A1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS NQO1, COQ8A, NDUFAB1 SLC6A3 1488/4885FDPS 1464/4885CYP1A2 1279/4885

“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.