SCHEMBL15314948

SCHEMBL15314948

CC1(CNC(=O)OC(C)(C)C)CCC2(CC1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.49
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 2/20 0.34
EPHX1 P07099 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DRD2 P14416 1/20 0.33
ALDH1A1 P00352 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL13641704 0.87 HCRTR2 (0.48) HCRTR2CA12CA1CA2CA9
SCHEMBL21937632 0.83 HCRTR2 (0.49) HCRTR2CA12CA1CA2CA9
SCHEMBL18655776 0.83 HCRTR2 (0.47) HCRTR2CA12CA1CA2CA9
SCHEMBL24485357 0.81 HCRTR2 (0.46) HCRTR2CA12CA1CA2CA9
SCHEMBL25970649 0.81 HCRTR2 (0.46) HCRTR2CA12CA1CA2CA9
SCHEMBL24204179 0.81 HCRTR2 (0.43) HCRTR2CA12CA1CA2CA9
SCHEMBL25785532 0.80 HCRTR2 (0.45) HCRTR2CA12CA1CA2CA9
SCHEMBL8254697 0.79 HCRTR2 (0.42) HCRTR2CA12CA1CA2CA9
SCHEMBL31563980 0.77 RORC (0.38) HCRTR2KMT2AMEN1GAA
SCHEMBL12070264 0.77 HCRTR2 (0.43) HCRTR2CA12CA1CA2CA9

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-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-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

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-20130274480-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF HSD17B7, HSD17B12, CYP11B2 HCRTR2 584/4885CA12 184/4885CA1 263/4885

“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.