SCHEMBL4193696

SCHEMBL4193696

CON(OC)C(=O)CCC(=O)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA4 P43681 1/20 0.39
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL1191256 0.81 ALDH1A1 (0.63) ALDH1A1CHRNB2CHRNB4CHRNA4PHF8
SCHEMBL11696398 0.75 TSHR (0.65) ALDH1A1CHRNB2CHRNB4CHRNA4PHF8
SCHEMBL29588901 0.73 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ATSHRHSD17B10
SCHEMBL104328 0.72
SCHEMBL4019745 0.70 PHF8 (0.39) ALDH1A1PHF8KDM2AMEN1KMT2A
SCHEMBL1071900 0.70 ALDH1A1 (0.59) ALDH1A1CHRNB2CHRNB4CHRNA4PHF8
SCHEMBL8645183 0.70
SCHEMBL322794 0.70 PHF8 (0.64) ALDH1A1CHRNB2CHRNB4CHRNA4PHF8
SCHEMBL10578272 0.70 ALDH1A1 (0.52) ALDH1A1CHRNB2CHRNB4CHRNA4PHF8
SCHEMBL16816192 0.70 ALDH1A1 (0.52) ALDH1A1CHRNB2CHRNB4CHRNA4PHF8

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-1664011-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-02-25 EP disclosed
US-20080287489-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2008-11-20 US disclosed
EP-1664011-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2006-06-07 EP disclosed
WO-2005020917-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2005-03-10 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 (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-20080287489-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNH3, KCNJ11 ALDH1A1 899/4885CHRNB2 229/4885CHRNB4 295/4885

“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.