SCHEMBL850750

SCHEMBL850750

CC=Cc1cccc(C(=O)OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 5/20 0.62
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
GRIN1 Q05586 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2B Q13224 1/20 0.55
GRIN2C Q14957 1/20 0.55
GRIN3A Q8TCU5 1/20 0.55
TSHR P16473 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
RAB9A P51151 3/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL850749 1.00 P4HB (0.62) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13711691 1.00 P4HB (0.62) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4407110 0.91 P4HB (0.68) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11222093 0.91 P4HB (0.68) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13554035 0.91 ERN1 (0.55) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13926058 0.88 P4HB (0.64) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24411012 0.86 P4HB (0.62) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1926761 0.86 P4HB (0.62) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29496462 0.86 P4HB (0.62) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1926762 0.86 P4HB (0.62) P4HBGRIN2DGRIN3BGRIN1GRIN2A

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-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
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
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
US-7795529-B2 Organic dye, photoelectric conversion material, semiconductor electrode and photoelectric conversion device MITSUBISHI PAPER MILLS LTD. (JP) 2010-09-14 US disclosed
US-7615640-B2 Organic dye, photoelectric conversion material, semiconductor electrode and photoelectric conversion device Mitsubishi PaperMillsLtd. (JP) 2009-11-10 US disclosed
US-20080149175-A1 Organic dye, photoelectric conversion material, semiconductor electrode and photoelectric conversion device HORIUCHI TAMOTSU 2008-06-26 US disclosed
US-20080087327-A1 Organic dye, photoelectric conversion material, semiconductor electrode and photoelectric conversion device HORIUCHI TAMOTSU 2008-04-17 US disclosed
US-4175203-A TREATMENT OF RENAL FAILURE AND TRANSPLANT REJECTION VASODILATORS MERCK & CO., INC. (US) 1979-11-20 US disclosed
US-4150235-A ANTIBODY INHIBITORS, HYPOTENSIVE AGENTS, DIURETICS, VASODILATOR MERCK & CO., INC. (US) 1979-04-17 US disclosed
US-4140861-A RENAL DISFUNCTION, ANTIBODY INHIBITORS MERCK & CO., INC. (US) 1979-02-20 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 (4 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 P4HB 2192/4885GRIN2D 1014/4885GRIN3B 478/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 P4HB 2192/4885GRIN2D 1014/4885GRIN3B 478/4885
US-20080149175-A1 Organic dye, photoelectric conversion material, semiconductor electrode and photoelectric conversion device FTO, PPOX, CDH1 P4HB 1983/4885GRIN2D 1033/4885GRIN3B 2186/4885
US-20080087327-A1 Organic dye, photoelectric conversion material, semiconductor electrode and photoelectric conversion device FTO, PPOX, CDH1 P4HB 1983/4885GRIN2D 1033/4885GRIN3B 2186/4885

“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.