SCHEMBL12346124

SCHEMBL12346124

CCCCC1(C#C[Si](C)(C)C)CCC(=O)CC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL12346164 0.90
SCHEMBL12346131 0.75 GAA (0.37)
SCHEMBL3042981 0.71 SIRT2 (0.36) CYP19A1SIRT2ESR1ESR2
SCHEMBL9356126 0.69 HSD17B10 (0.36) CYP19A1SIRT2ESR1ESR2
Ethylene SCHEMBL11125086 0.69 SIRT2 (0.34) CYP19A1SIRT2ESR1ESR2
SCHEMBL12346136 0.69 CYP19A1 (0.31) CYP19A1ESR1ESR2
SCHEMBL9356226 0.66 HSD17B10 (0.34) CYP19A1SIRT2
SCHEMBL1046054 0.65 OPRM1 (0.47) CYP19A1SIRT2
SCHEMBL9360186 0.64 SIRT2 (0.40) CYP19A1SIRT2
SCHEMBL3576920 0.64 CRHBP (0.34)

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
US-9000188-B2 Monocyclic cyanoenones and methods of use thereof TRUSTEES OF DARTMOUTH COLLEGE (US) 2015-04-07 US disclosed
US-20130274480-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-17 US disclosed
US-8314137-B2 Monocyclic cyanoenones and methods of use thereof TRUSTESS OF DARTMOUTH COLLEGE (US) 2012-11-20 US disclosed
US-20110196007-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-08-11 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-20110196007-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF HSD17B7, HSD17B12, CYP11B2 CYP19A1 32/4885SIRT2 320/4885ESR1 1277/4885
US-20130274480-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF HSD17B7, HSD17B12, CYP11B2 CYP19A1 32/4885SIRT2 320/4885ESR1 1277/4885

“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.