SCHEMBL40170

SCHEMBL40170

CC(C)c1cc(O)cc(C(=O)O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
BCL2 P10415 2/20 0.45
MCL1 Q07820 1/20 0.45
GABRA1 P14867 4/20 0.44
GABRB1 P18505 4/20 0.44
GAA P10253 3/20 0.43
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
GABRB2 P47870 1/20 0.42
ACE2 Q9BYF1 1/20 0.41
CA12 O43570 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL29356006 0.83 CA12 (0.43) ALDH1A1KDM4EHPGDCA1CA2
SCHEMBL212716 0.82 FABP3 (0.60) ALDH1A1KDM4EHPGDCA1CA2
SCHEMBL22005119 0.82 GABRA1 (0.51) ALDH1A1KDM4EHPGDCA1CA2
SCHEMBL29593831 0.82 FABP3 (0.60) ALDH1A1KDM4EHPGDCA1CA2
SCHEMBL27658629 0.82 KDM4E (0.47) ALDH1A1KDM4EHPGDCA1CA2
SCHEMBL39468 0.82 TSHR (0.39) ALDH1A1KDM4EHPGDCA1CA2
SCHEMBL11783529 0.81 FABP3 (0.58) ALDH1A1KDM4EHPGDCA1CA2
SCHEMBL11797932 0.81 FABP3 (0.58) ALDH1A1KDM4EHPGDCA1CA2
SCHEMBL22004173 0.81 GABRA1 (0.64) ALDH1A1KDM4EHPGDCA1CA2
SCHEMBL14124056 0.81 FABP3 (0.48) ALDH1A1KDM4EHPGDCA1CA2

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-9618867-B2 Pigment dispersion and toner CANON KABUSHIKI KAISHA (JP) 2017-04-11 US disclosed
US-20160246200-A1 PIGMENT DISPERSION AND TONER CANON KABUSHIKI KAISHA (JP) 2016-08-25 US disclosed
EP-2753982-B1 TONER CANON KK (JP) 2016-03-23 EP disclosed
US-9223240-B2 Toner CANON KABUSHIKI KAISHA (JP) 2015-12-29 US disclosed
US-9079989-B2 Charge control resin and manufacturing method of the same ORIENT CHEMICAL INDUSTRIES CO., LTD. (JP) 2015-07-14 US disclosed
US-9079989-B2 Charge control resin and manufacturing method of the same ORIENT CHEMICAL INDUSTRIES CO., LTD. (JP) 2015-07-14 US disclosed
US-20150025213-A1 CHARGE CONTROL RESIN AND MANUFACTURING METHOD OF THE SAME ORIENT CHEMICAL INDUSTRIES CO., LTD. (JP) 2015-01-22 US disclosed
US-20150025213-A1 CHARGE CONTROL RESIN AND MANUFACTURING METHOD OF THE SAME ORIENT CHEMICAL INDUSTRIES CO., LTD. (JP) 2015-01-22 US disclosed
US-8883946-B2 Charge control resin and manufacturing method of the same ORIENT CHEMICAL INDUSTRIES CO., LTD. (JP) 2014-11-11 US disclosed
US-8883946-B2 Charge control resin and manufacturing method of the same ORIENT CHEMICAL INDUSTRIES CO., LTD. (JP) 2014-11-11 US disclosed
US-20140205943-A1 TONER CANON KABUSHIKI KAISHA (JP) 2014-07-24 US disclosed
US-20140080989-A1 CHARGE CONTROL RESIN AND MANUFACTURING METHOD OF THE SAME ORIENT CHEMICAL INDUSTRIES CO., LTD. (JP) 2014-03-20 US disclosed
US-20140080989-A1 CHARGE CONTROL RESIN AND MANUFACTURING METHOD OF THE SAME ORIENT CHEMICAL INDUSTRIES CO., LTD. (JP) 2014-03-20 US disclosed
EP-2584896-A2 HERBICIDAL COMPOSITIONS BASF SE (DE) 2013-05-01 EP disclosed
US-20130102463-A1 Herbicidal Compositions BASF SE (DE) 2013-04-25 US disclosed
US-20130065174-A1 TONER CANON KABUSHIKI KAISHA (JP) 2013-03-14 US disclosed
WO-2011161105-A2 HERBICIDAL COMPOSITIONS BASF SE (DE) 2011-12-29 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 (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-20130102463-A1 Herbicidal Compositions PPOX, PAOX, DDT ALDH1A1 347/4885KDM4E 2117/4885HPGD 457/4885

“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.