SCHEMBL14701292

SCHEMBL14701292

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.54
CHRNA4 P43681 4/20 0.54
CHRNB4 P30926 3/20 0.54
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 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
SCHEMBL1517765 0.82 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4ALDH1A1GABRP
SCHEMBL23832943 0.80 GABRP (0.58) CHRNB2CHRNA4CHRNB4ALDH1A1GABRP
SCHEMBL15994491 0.80 GABRP (0.58) CHRNB2CHRNA4CHRNB4ALDH1A1GABRP
SCHEMBL23845193 0.80 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4ALDH1A1GABRP
SCHEMBL15793331 0.78 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4ALDH1A1GABRP
Hydrochloric Acid SCHEMBL23833247 0.78 GABRP (0.56) CHRNB2CHRNA4CHRNB4ALDH1A1GABRP
SCHEMBL23771190 0.78 CHRNB2 (0.76) CHRNB2CHRNA4CHRNB4ALDH1A1CHRNA3
Hydrochloric Acid SCHEMBL23833245 0.78 GABRP (0.56) CHRNB2CHRNA4CHRNB4ALDH1A1GABRP
SCHEMBL12703970 0.78 ALDH1A1 (0.45) CHRNB2CHRNA4CHRNB4ALDH1A1CYP3A4
SCHEMBL3996376 0.78 ALDH1A1 (0.41) CHRNB2CHRNA4CHRNB4ALDH1A1CYP3A4

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-20130040816-A1 Biocide Compositions Comprising Valerolactone Or Its Derivatives COGNIS IP MANAGEMENT GMBH (DE) 2013-02-14 US disclosed
US-20130040816-A1 Biocide Compositions Comprising Valerolactone Or Its Derivatives COGNIS IP MANAGEMENT GMBH (DE) 2013-02-14 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-20130040816-A1 Biocide Compositions Comprising Valerolactone Or Its Derivatives HSD17B12, HSD17B10, CYP51A1 CHRNB2 4390/4885CHRNA4 4712/4885CHRNB4 4109/4885

“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.