SCHEMBL2822246

SCHEMBL2822246

O=C1CCN(C(=O)C(F)(F)F)CC1OCC(F)F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35
EPHX1 P07099 1/20 0.32
MGLL Q99685 1/20 0.30
ABHD6 Q9BV23 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
SCHEMBL6762927 0.71 ESR1 (0.38) ESR1ESR2EPHX1ABHD6
SCHEMBL3574362 0.71 ESR1 (0.38) ESR1ESR2EPHX1
SCHEMBL6849414 0.71 ESR1 (0.35) ESR1ESR2EPHX1
SCHEMBL4791077 0.70 ITGB3 (0.41) ESR1ESR2EPHX1
SCHEMBL2848677 0.69 EPHX1 (0.34) EPHX1
SCHEMBL2848675 0.69 EPHX1 (0.34) EPHX1
SCHEMBL2829124 0.67
SCHEMBL2823213 0.67 HTR1A (0.32) EPHX1
SCHEMBL2824395 0.66 NPC1 (0.30)
SCHEMBL405928 0.65 GAA (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 EP 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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ESR1 2414/4885ESR2 3511/4885EPHX1 4397/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ESR1 2947/4885ESR2 4641/4885EPHX1 2994/4885

“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.