SCHEMBL21539503

SCHEMBL21539503

CC(C)CCC(=O)OCCC(C)CCC(=O)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 5/20 0.39
▸ CHRNA4 P43681 5/20 0.39
▸ CHRNB4 P30926 3/20 0.39
▸ ALOX15 P16050 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ CHRNA3 P32297 2/20 0.34
▸ CA1 P00915 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ DNM1 Q05193 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ PTPN1 P18031 1/20 0.31

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
SCHEMBL25022292 0.80 ALOX15 (0.37) CHRNB2CHRNA4CHRNB4ALOX15CYP19A1
SCHEMBL12410088 0.80 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CYP19A1CHRNA3
SCHEMBL4292777 0.78 CYP19A1 (0.49) CYP19A1CA1ALDH1A1ADRA2AADRA1A
SCHEMBL1517765 0.78 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CA1
SCHEMBL29061599 0.75 BLM (0.52) CHRNB2CHRNA4CHRNB4ALOX15CA1
SCHEMBL12410080 0.75 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CYP19A1CHRNA3
SCHEMBL14823561 0.74 PTPN1 (0.43) ALOX15CYP19A1DNM1ADRA2AADRA1A
SCHEMBL1050907 0.74 BLM (0.50) ALOX15CYP19A1ADRA2AADRA1APTPN1
SCHEMBL9480399 0.74 DNM1 (0.56) CHRNB2CHRNA4CYP19A1CA1ALDH1A1
SCHEMBL14273817 0.74 BLM (0.50) ALOX15CYP19A1ADRA2AADRA1APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464952-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-11-05 — — 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-10464952-B2 Beta-lactamase inhibitors MGAM, GAA, LCT CHRNB2 4633/4885CHRNA4 4837/4885CHRNB4 4787/4885

“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.

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