SCHEMBL16547232

SCHEMBL16547232

C=C(C(=O)OC)C(C)CN(C)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA7 P43166 1/20 0.30
DGAT1 O75907 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
SCHEMBL16532598 0.85 CA12 (0.34) CA1CA2CA12CA14DGAT1
SCHEMBL16547233 0.84 CA14 (0.35) CA1CA2CA12CA14CA7
SCHEMBL17898136 0.81 CA14 (0.37) CA1CA2CA12CA14CA7
SCHEMBL19831980 0.77 CYP2C9 (0.31)
SCHEMBL16534187 0.77 CA12 (0.30) CA1CA2CA12CA14
SCHEMBL10473405 0.77 MEN1 (0.34) CA1CA2CA12CA14CA7
SCHEMBL17898137 0.77 MEN1 (0.34) CA1CA2CA12CA14CA7
SCHEMBL18673512 0.75 CA14 (0.35) CA1CA2CA12CA14DGAT1
SCHEMBL13490197 0.75 HDAC6 (0.36) CA1CA2CA12CA14CA7
SCHEMBL16751219 0.74 HDAC6 (0.33) CA1CA2CA12CA14CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-05-25 US disclosed
US-9605005-B2 Alkynyl alcohols and methods of use GENENTECH, INC. (US) 2017-03-28 US disclosed
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (CA) 2016-07-14 US disclosed
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2016-04-07 US disclosed
US-20150065482-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-03-05 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 (4 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-20150065482-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA CA1 4676/4885CA2 4579/4885CA12 4391/4885
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA CA1 4676/4885CA2 4579/4885CA12 4391/4885
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA CA1 4676/4885CA2 4579/4885CA12 4391/4885
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA CA1 4676/4885CA2 4579/4885CA12 4391/4885

“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.