SCHEMBL1969540

SCHEMBL1969540

CC(=CCN1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
ALDH1A1 P00352 2/20 0.49
CASP3 P42574 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
APEX1 P27695 6/20 0.43
GSK3B P49841 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL1969539 1.00 CA12 (0.51) CA12CA9ALDH1A1CASP3MEN1
SCHEMBL2866493 0.84 CA12 (0.49) CA12CA9ALDH1A1CASP3MEN1
SCHEMBL4017572 0.82 ALDH1A1 (0.55) CA12CA9ALDH1A1CASP3MEN1
SCHEMBL12391716 0.80 ALDH1A1 (0.47) CA12CA9ALDH1A1MEN1KMT2A
SCHEMBL11285299 0.80 ALDH1A1 (0.49) CA12CA9ALDH1A1CASP3GSK3B
SCHEMBL21744814 0.80 ALDH1A1 (0.49) CA12CA9ALDH1A1CASP3GSK3B
SCHEMBL11285292 0.80 ALDH1A1 (0.49) CA12CA9ALDH1A1CASP3GSK3B
SCHEMBL18591432 0.80 ALDH1A1 (0.49) CA12CA9ALDH1A1CASP3KMT2A
SCHEMBL16623099 0.79 ALDH1A1 (0.51) CA12CA9ALDH1A1CASP3SMN1; SMN2
SCHEMBL1973155 0.78 ALDH1A1 (0.50) CA12CA9ALDH1A1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273931-A1 DECARBOXYLATING BLOCK COPOLYMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-28 US claimed
EP-0974607-B1 Coating compositions and inks DU PONT (US) 2004-09-29 EP claimed
EP-0974626-B1 Aqueous pigmented ink jet inks for printing on vinyls DU PONT (US) 2004-05-19 EP claimed
EP-0826751-B1 Aqueous dispersions containing graft copolymers as the dispersant DU PONT (US) 2004-04-28 EP claimed
US-8956798-B2 Process for producing toner for electrophotography KAO CORPORATION (JP) 2015-02-17 US disclosed
EP-2730419-A1 Printing method Mimaki Engineering Co., Ltd. (JP) 2014-05-14 EP disclosed
US-8362106-B2 Decarboxylating block copolymers E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-29 US disclosed
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP disclosed
US-8013053-B2 Water-based inks for ink-jet printing KAO CORPORATION (JP) 2011-09-06 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110183249-A1 PROCESS FOR PRODUCING TONER FOR ELECTROPHOTOGRAPHY KAO CORPORATION (JP) 2011-07-28 US disclosed
US-7964660-B2 Process for producing aqueous pigment dispersion KAO CORPORATION (JP) 2011-06-21 US disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed
US-20100273931-A1 DECARBOXYLATING BLOCK COPOLYMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-28 US disclosed
US-7795327-B2 Water-based inks for ink-jet printing KAO CORPORATION (JP) 2010-09-14 US disclosed
US-20070149647-A1 Water-based inks for ink-jet printing KAO CORPORATION 2007-06-28 US disclosed
US-20060052480-A1 Water-based inks for ink-jet printing KAO CORPORATION (JP) 2006-03-09 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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 CA12 4870/4885CA9 4876/4885ALDH1A1 4044/4885

“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.