SCHEMBL7157124

SCHEMBL7157124

CCCCCCC(C)(O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.45
ESR2 Q92731 1/20 0.44
GAA P10253 1/20 0.44
SCN5A Q14524 3/20 0.43
SCN9A Q15858 3/20 0.43
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL10441856 1.00 SIGMAR1 (0.45) SIGMAR1ESR2GAASCN5ASCN9A
SCHEMBL28803638 1.00 SIGMAR1 (0.45) SIGMAR1ESR2GAASCN5ASCN9A
SCHEMBL28001899 1.00 SIGMAR1 (0.45) SIGMAR1ESR2GAASCN5ASCN9A
SCHEMBL27299341 1.00 SIGMAR1 (0.45) SIGMAR1ESR2GAASCN5ASCN9A
SCHEMBL500650 1.00 SIGMAR1 (0.45) SIGMAR1ESR2GAASCN5ASCN9A
SCHEMBL1581793 1.00 SIGMAR1 (0.45) SIGMAR1ESR2GAASCN5ASCN9A
SCHEMBL10441612 0.98 SIGMAR1 (0.46) SIGMAR1ESR2GAASCN5ASCN9A
SCHEMBL845807 0.92 ESR2 (0.47) SIGMAR1ESR2CYP2C19
SCHEMBL3190448 0.90 SIGMAR1 (0.47) SIGMAR1ESR2CYP2C19
SCHEMBL3200007 0.86 CYP2C19 (0.50) SIGMAR1ESR2KMT2ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10175589-B2 Quinone derivative and electrophotographic photosensitive member KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2019-01-08 US disclosed
US-20170363978-A1 QUINONE DERIVATIVE AND ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2017-12-21 US disclosed
US-20170363978-A1 QUINONE DERIVATIVE AND ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2017-12-21 US disclosed
WO-2003031625-A1 ESTERASE ESTA EXTRACTED FROM RHODOCOCCUS RUBER DEGUSSA AG (DE) 2003-04-17 WO disclosed
WO-2003031609-A1 ESTERASE ESTA OF RHODOCOCCUS SP. DEGUSSA AG (DE) 2003-04-17 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-10175589-B2 Quinone derivative and electrophotographic photosensitive member KEAP1, NQO1, CBR3 SIGMAR1 2923/4885ESR2 1121/4885GAA 1955/4885
US-20170363978-A1 QUINONE DERIVATIVE AND ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER KEAP1, NQO1, CBR3 SIGMAR1 2923/4885ESR2 1121/4885GAA 1955/4885

“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.