SCHEMBL1660610

SCHEMBL1660610

C[C@H]1CC(=O)C2=C(CCCCCCCCC2)C1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
CRBN Q96SW2 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31

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
SCHEMBL2045753 1.00 KMT2A (0.34) KMT2ACRBNCA1CA2CA4
SCHEMBL2044931 1.00 KMT2A (0.34) KMT2ACRBNCA1CA2CA4
SCHEMBL1660612 1.00 KMT2A (0.34) KMT2ACRBNCA1CA2CA4
SCHEMBL1659708 1.00 KMT2A (0.34) KMT2ACRBNCA1CA2CA4
SCHEMBL1660756 1.00 KMT2A (0.34) KMT2ACRBNCA1CA2CA4
SCHEMBL727453 1.00 KMT2A (0.34) KMT2ACRBNCA1CA2CA4
SCHEMBL2044674 1.00 KMT2A (0.34) KMT2ACRBNCA1CA2CA4
SCHEMBL2044296 1.00 KMT2A (0.34) KMT2ACRBNCA1CA2CA4
SCHEMBL2051736 0.86 ALDH1A1 (0.31)
SCHEMBL2047253 0.86 ALDH1A1 (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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173846-B2 Substituted cyclohexenones FIRMENICH SA (CH) 2012-05-08 US claimed
EP-2247564-B1 SUBSTITUTED CYCLOHEXENONES FIRMENICH & CIE (CH) 2011-06-29 EP claimed
JP-2011510973-A 2011-04-07 JP claimed
EP-2247564-A1 SUBSTITUTED CYCLOHEXENONES Firmenich S.A. (CH) 2010-11-10 EP claimed
US-20100274059-A1 SUBSTITUTED CYCLOHEXENONES FIRMENICH SA (CH) 2010-10-28 US claimed
WO-2009095804-A1 SUBSTITUTED CYCLOHEXENONES FIRMENICH SA (CH) 2009-08-06 WO claimed
EP-1718591-B1 A PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE CYCLOHEXENONES FIRMENICH & CIE (CH) 2008-10-15 EP claimed
US-7332633-B2 Process for the preparation of optically active cyclohexenones FIRMENICH SA (CH) 2008-02-19 US claimed
US-20060252967-A1 Process for the preparation of optically active cyclohexenones FIRMENICH SA (CH) 2006-11-09 US claimed
US-8173846-B2 Substituted cyclohexenones FIRMENICH SA (CH) 2012-05-08 US disclosed
EP-2247564-B1 SUBSTITUTED CYCLOHEXENONES FIRMENICH & CIE (CH) 2011-06-29 EP disclosed
US-20100274059-A1 SUBSTITUTED CYCLOHEXENONES FIRMENICH SA (CH) 2010-10-28 US disclosed
US-20100274059-A1 SUBSTITUTED CYCLOHEXENONES FIRMENICH SA (CH) 2010-10-28 US disclosed
US-20100274059-A1 SUBSTITUTED CYCLOHEXENONES FIRMENICH SA (CH) 2010-10-28 US disclosed
EP-1910261-B1 SUBSTITUTED CYCLOHEXANONES FIRMENICH & CIE (CH) 2009-11-11 EP disclosed
US-7470820-B2 Substituted cyclohexanones FIRMENICH SA (CH) 2008-12-30 US disclosed
EP-1718591-B1 A PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE CYCLOHEXENONES FIRMENICH & CIE (CH) 2008-10-15 EP disclosed
US-20080228008-A1 Substituted Cyclohexanones FIRMENICH SA (CH) 2008-09-18 US disclosed
US-7332633-B2 Process for the preparation of optically active cyclohexenones FIRMENICH SA (CH) 2008-02-19 US disclosed
US-20060252967-A1 Process for the preparation of optically active cyclohexenones FIRMENICH SA (CH) 2006-11-09 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 (3 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-20100274059-A1 SUBSTITUTED CYCLOHEXENONES OXER1, ORC3, OR10J3 KMT2A 4285/4885CRBN 1954/4885CA1 1603/4885
US-20080228008-A1 Substituted Cyclohexanones NQO1, CYP2J2, CBR3 KMT2A 3910/4885CRBN 2445/4885CA1 3946/4885
US-20060252967-A1 Process for the preparation of optically active cyclohexenones KCNJ11, KCNJ1, KCNK17 KMT2A 3017/4885CRBN 2445/4885CA1 1175/4885

“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.