SCHEMBL3762222

SCHEMBL3762222

CCOC(=O)C=C1CC2CC(=O)CC(C1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.43
HPGD P15428 4/20 0.37
HSD17B10 Q99714 4/20 0.37
MAPK1 P28482 3/20 0.37
KDM4E B2RXH2 3/20 0.35
RECQL P46063 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CASP1 P29466 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
ESR1 P03372 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
CTDSP1 Q9GZU7 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
SCHEMBL3761323 0.87 ESR2 (0.48) ESR2HPGDHSD17B10MAPK1KDM4E
SCHEMBL11045272 0.78 ESR2 (0.46) ESR2HPGDHSD17B10MAPK1KDM4E
SCHEMBL8334688 0.78 ESR2 (0.48) ESR2HPGDHSD17B10MAPK1KDM4E
SCHEMBL5690699 0.78 ESR2 (0.48) ESR2HPGDHSD17B10MAPK1KDM4E
SCHEMBL5084406 0.78 ESR2 (0.48) ESR2HPGDHSD17B10MAPK1KDM4E
SCHEMBL5690516 0.78 ESR2 (0.48) ESR2HPGDHSD17B10MAPK1KDM4E
SCHEMBL5084409 0.78 ESR2 (0.48) ESR2HPGDHSD17B10MAPK1KDM4E
SCHEMBL15369698 0.78 ESR2 (0.48) ESR2HPGDHSD17B10MAPK1KDM4E
SCHEMBL14570632 0.76 ESR2 (0.50) ESR2HPGDHSD17B10MAPK1KDM4E
SCHEMBL8344811 0.76 ESR2 (0.50) ESR2HPGDHSD17B10MAPK1KDM4E

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-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
EP-1036058-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2003-03-12 EP disclosed
US-6242470-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS, ANTIALLERGENS; IRRITABLE BOWEL SYNDROME; AMIDATION ASTRAZENECA AB (SE) 2001-06-05 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 1016/4885HPGD 1570/4885HSD17B10 2645/4885

“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.