SCHEMBL1666431

SCHEMBL1666431

C=CC1(C)CCC(=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.34
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 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
SCHEMBL14781797 0.86
SCHEMBL19552476 0.86
SCHEMBL29957055 0.77 MEN1 (0.33) CYP19A1MEN1CYP2C9KMT2ATRIM24
SCHEMBL9455031 0.74
SCHEMBL5040151 0.74 MEN1 (0.34) MEN1CYP2C9KMT2ATRIM24TRIM33
SCHEMBL11000652 0.74
Formaldehyde SCHEMBL27736026 0.70 MEN1 (0.36) MEN1CYP2C9KMT2ATRIM24TRIM33
SCHEMBL2933709 0.70 MEN1 (0.32) MEN1CYP2C9KMT2ATRIM24TRIM33
SCHEMBL28205248 0.70 MEN1 (0.32) MEN1CYP2C9KMT2ATRIM24TRIM33
SCHEMBL16837795 0.70 KDM4E (0.31)

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 17 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-9000188-B2 Monocyclic cyanoenones and methods of use thereof TRUSTEES OF DARTMOUTH COLLEGE (US) 2015-04-07 US disclosed
EP-2309860-B1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF DARTMOUTH COLLEGE (US) 2014-01-08 EP disclosed
EP-2309860-B1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF DARTMOUTH COLLEGE (US) 2014-01-08 EP 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
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-8314137-B2 Monocyclic cyanoenones and methods of use thereof TRUSTESS OF DARTMOUTH COLLEGE (US) 2012-11-20 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
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
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
EP-2309860-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF Trustees of Dartmouth College (US) 2011-04-20 EP disclosed
WO-2010011782-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF TRUSTEES OF DARTMOUTH COLLEGE (US) 2010-01-28 WO disclosed
WO-2010011782-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF TRUSTEES OF DARTMOUTH COLLEGE (US) 2010-01-28 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 (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 32/4885MEN1 878/4885CYP2C9 873/4885
US-20130274480-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF HSD17B7, HSD17B12, CYP11B2 CYP19A1 32/4885MEN1 878/4885CYP2C9 873/4885

“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.