SCHEMBL3076820

SCHEMBL3076820

CCC(O)(CC)CNC=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.40
ADH1A P07327 4/20 0.40
ADH7 P40394 3/20 0.40
ADH1C P00326 3/20 0.37
EPHX1 P07099 1/20 0.36
ADH4 P08319 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
SCHEMBL1095937 0.74
SCHEMBL270048 0.72
SCHEMBL2014024 0.70 TP53 (0.39)
SCHEMBL6265134 0.70 ADH1B (0.33) ADH1BADH1AADH7ADH1C
SCHEMBL6079696 0.70 ADH1B (0.40) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL14327568 0.70
SCHEMBL20376620 0.70 ADH1B (0.35) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL269932 0.69
Ammonia Solution, Strong SCHEMBL9095825 0.67
SCHEMBL14746054 0.67 ADH1B (0.41) ADH1BADH1AADH7ADH1CEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 EP disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 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-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AR, NR5A1, NR3C2 ADH1B 860/4885ADH1A 675/4885ADH7 1046/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 ADH1B 887/4885ADH1A 704/4885ADH7 1074/4885

“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.