SCHEMBL3822239

SCHEMBL3822239

CC1CCCCCCCCCCCCCC(=O)OC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.49
KMT2A Q03164 1/20 0.48
CA1 P00915 3/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA9 Q16790 2/20 0.43
CYP2C19 P33261 2/20 0.37
CASP1 P29466 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
FKBP4 Q02790 3/20 0.34
SLC6A3 Q01959 8/20 0.33
SLC6A4 P31645 6/20 0.33
SLC6A2 P23975 5/20 0.33

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
SCHEMBL547347 1.00 CYP2D6 (0.49) CYP2D6KMT2ACA1CA2CA4
SCHEMBL8846065 1.00 CYP2D6 (0.49) CYP2D6KMT2ACA1CA2CA4
SCHEMBL3821804 1.00 CYP2D6 (0.49) CYP2D6KMT2ACA1CA2CA4
SCHEMBL29399931 1.00 CYP2D6 (0.49) CYP2D6KMT2ACA1CA2CA4
SCHEMBL2719598 1.00 CYP2D6 (0.49) CYP2D6KMT2ACA1CA2CA4
SCHEMBL15577086 1.00 CYP2D6 (0.49) CYP2D6KMT2ACA1CA2CA4
SCHEMBL179200 0.98 CYP2D6 (0.50) CYP2D6KMT2ACA1CA2CA4
SCHEMBL18268908 0.98 CYP2D6 (0.50) CYP2D6KMT2ACA1CA2CA4
SCHEMBL3956872 0.93 CA1 (0.57) CYP2D6KMT2ACA1CA2CA4
SCHEMBL10704300 0.91

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134680-A1 METHOD FOR PRODUCING CYCLIC ESTERS BASF SE (DE) 2018-05-17 US disclosed
US-8383834-B2 Process for preparing unsaturated lactones SYMRISE AG (DE) 2013-02-26 US disclosed
US-20090306411-A1 PROCESS FOR PREPARING UNSATURATED LACTONES SYMRISE GMBH & CO. KG (DE) 2009-12-10 US disclosed
WO-2005113533-A9 PROCESS FOR PREPARING UNSATURATED LACTONES SYMRISE GMBH & CO. KG (DE) 2009-09-24 WO disclosed
EP-1747211-B1 PROCESS FOR PREPARING UNSATURATED LACTONES SYMRISE GMBH & CO KG (DE) 2009-08-26 EP disclosed
EP-1747211-A1 PROCESS FOR PREPARING UNSATURATED LACTONES Akzo Nobel N.V. (NL) 2007-01-31 EP disclosed
WO-2005113533-A1 PROCESS FOR PREPARING UNSATURATED LACTONES SYMRISE GMBH & CO. KG (DE) 2005-12-01 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-20180134680-A1 METHOD FOR PRODUCING CYCLIC ESTERS OR51E2, HSD17B12, OR10J3 CYP2D6 759/4885KMT2A 1411/4885CA1 294/4885
US-20090306411-A1 PROCESS FOR PREPARING UNSATURATED LACTONES ALOX5, ALOX12, ALOX15 CYP2D6 1056/4885KMT2A 2821/4885CA1 535/4885

“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.