SCHEMBL848751

SCHEMBL848751

O=C(O)c1ccc(CCCC(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.54
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 1/20 0.51
RARA P10276 1/20 0.51
MAPT P10636 1/20 0.51
MTOR P42345 1/20 0.51
KMT2A Q03164 1/20 0.51
SRD5A2 P31213 2/20 0.47
TBXAS1 P24557 2/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
TYR P14679 1/20 0.43
DRD1 P21728 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43

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
SCHEMBL15358609 0.95 RARB (0.56) RARBALDH1A1MEN1RARAMAPT
SCHEMBL851054 0.93 RARB (0.57) RARBALDH1A1MEN1RARAMAPT
SCHEMBL14089940 0.89 ALDH1A1 (0.56) RARBALDH1A1MEN1RARAMAPT
SCHEMBL20572265 0.84 HSD17B10 (0.59) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL371605 0.82 RARB (0.71) RARBALDH1A1MEN1RARAMAPT
SCHEMBL133470 0.82 RARB (0.68) RARBALDH1A1MEN1RARAMAPT
SCHEMBL28024642 0.80 SRD5A2 (0.68) RARBALDH1A1MEN1RARAMAPT
SCHEMBL30053056 0.80 RARB (0.72) RARBALDH1A1MEN1RARAMAPT
SCHEMBL28873230 0.80 RARB (0.72) RARBALDH1A1MEN1RARAMAPT
SCHEMBL9472454 0.80 RARB (0.72) RARBALDH1A1MEN1RARAMAPT

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-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP disclosed
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP disclosed
CN-103788962-A Liquid crystal aligning agent for PSA mode liquid crystal display device, liquid crystal alignment film for PSA mode liquid crystal display device, and the PSA mode liquid crystal display device and manufacturing method thereof JSR CORP 2014-05-14 CN disclosed
CN-103525435-A Liquid crystal aligning agent, manufacturing method for liquid crystal display device, liquid crystal alignment film, liquid crystal display device, polymer and carboxylic acid JSR CORP 2014-01-22 CN disclosed
CN-103374353-A Liquid crystal alignment agent, liquid crystal alignment film, liquid crystal display element and manufacturing method for liquid crystal display element JSR CORP 2013-10-30 CN disclosed
CN-103320146-A Liquid crystal aligning agent, liquid crystal aligning film, liquid crystal display element and method of making liquid crystal display element JSR CORP 2013-09-25 CN disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP disclosed
WO-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 RARB 3269/4885ALDH1A1 836/4885MEN1 276/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 RARB 3269/4885ALDH1A1 836/4885MEN1 276/4885

“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.