SCHEMBL3749633

SCHEMBL3749633

CCOC(=O)C=C1C2CCCC1CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.47
HCAR2 Q8TDS4 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
HPGD P15428 4/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 2/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRM1 P35372 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
TLR4 O00206 1/20 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
SCHEMBL11721964 0.92 ESR2 (0.49) ESR2HCAR2NPSR1HPGDMAPK1
SCHEMBL9639194 0.80 TSHR (0.53) ESR2HCAR2NPSR1HPGDMAPK1
SCHEMBL27115170 0.79 CHRNB2 (0.43) ESR2HCAR2NPSR1HPGDMAPK1
SCHEMBL19090842 0.76 ESR2 (0.42) ESR2HCAR2NPSR1HPGDMAPK1
SCHEMBL19066111 0.76 ESR2 (0.42) ESR2HCAR2NPSR1HPGDMAPK1
SCHEMBL26077267 0.75 ESR2 (0.48) ESR2HCAR2NPSR1HPGDMAPK1
SCHEMBL14559596 0.75 ESR2 (0.48) ESR2HCAR2NPSR1HPGDMAPK1
SCHEMBL8349576 0.75 ESR2 (0.48) ESR2HCAR2NPSR1HPGDMAPK1
SCHEMBL30329287 0.75 NR1H2 (0.42) ESR2NPSR1HPGDHSD17B10ALDH1A1
SCHEMBL3812188 0.75 ESR2 (0.42) ESR2NPSR1HPGDMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962639-B2 Potassium channel modulators ABBVIE INC. (US) 2015-02-24 US disclosed
US-20100305109-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 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-20100305109-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 ESR2 1016/4885HCAR2 1032/4885NPSR1 666/4885

“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.