SCHEMBL3058664

SCHEMBL3058664

[CH2]CSCC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
CHRM5 P08912 2/20 0.32
CYP1A2 P05177 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
DAO P14920 1/20 0.32
SIGMAR1 Q99720 1/20 0.30
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH4 P08319 1/20 0.30
ADH7 P40394 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
SCHEMBL27475440 0.83 EPHX1 (0.39) EPHX1CHRM5CYP1A2ADRA2CCHRM2
SCHEMBL7440315 0.83 EPHX1 (0.39) EPHX1CHRM5CYP1A2ADRA2CCHRM2
SCHEMBL8976389 0.80 EPHX1 (0.35) EPHX1CHRM5CYP1A2ADRA2CCHRM2
Ammonia Solution, Strong SCHEMBL28811026 0.77 EPHX1 (0.34) EPHX1CHRM5CYP1A2ADRA2CCHRM2
SCHEMBL5215040 0.75 CYP1A2 (0.39) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL9802627 0.74 EPHX1 (0.38) EPHX1CHRM5CYP1A2ADRA2CCHRM2
SCHEMBL20867079 0.74 CYP1A2 (0.42) EPHX1CHRM5CYP1A2ADRA2CCHRM2
SCHEMBL12960855 0.74 CYP1A2 (0.42) EPHX1CHRM5CYP1A2ADRA2CCHRM2
SCHEMBL27985770 0.74 EPHX1 (0.31) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL10311789 0.73 ALOX5 (0.43) EPHX1CHRM5CHRM2CHRM4CHRM1

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
EP-1982978-B1 PYRIDONE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 2014-08-27 EP disclosed
US-8076487-B2 Pyridone derivative and herbicide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2011-12-13 US disclosed
US-20100222592-A1 Pyridone Derivative and Herbicide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-09-02 US disclosed
EP-1982978-A1 PYRIDONE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2008-10-22 EP 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-20100222592-A1 Pyridone Derivative and Herbicide PDXK, PNPO, CBR3 EPHX1 1271/4885CHRM5 416/4885CYP1A2 47/4885

“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.