SCHEMBL4869322

SCHEMBL4869322

CC(C)c1cc(O)c(O)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.53
GABRB2 P47870 1/20 0.53
FABP3 P05413 1/20 0.47
FABP4 P15090 1/20 0.47
ALDH1A1 P00352 7/20 0.44
HSD17B10 Q99714 6/20 0.44
KDM4E B2RXH2 5/20 0.44
HPGD P15428 5/20 0.44
TDP1 Q9NUW8 5/20 0.44
GRM1 Q13255 3/20 0.44
MEN1 O00255 3/20 0.44
CYP2C9 P11712 3/20 0.44
KMT2A Q03164 3/20 0.44
GRM2 Q14416 2/20 0.44
SELL P14151 2/20 0.42
SELP P16109 2/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 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
SCHEMBL31335772 1.00 GABRA1 (0.53) GABRA1GABRB2FABP3FABP4ALDH1A1
SCHEMBL212716 0.82 FABP3 (0.60) GABRA1GABRB2FABP3FABP4ALDH1A1
SCHEMBL29593831 0.82 FABP3 (0.60) GABRA1GABRB2FABP3FABP4ALDH1A1
SCHEMBL15524641 0.82 HDAC4 (0.42) ALDH1A1HSD17B10KDM4EHPGDTDP1
SCHEMBL11797932 0.81 FABP3 (0.58) GABRA1GABRB2FABP3FABP4ALDH1A1
SCHEMBL10618114 0.81 FABP3 (0.58) GABRA1GABRB2FABP3FABP4ALDH1A1
SCHEMBL11794494 0.81 FABP3 (0.58) GABRA1GABRB2FABP3FABP4ALDH1A1
SCHEMBL11783529 0.81 FABP3 (0.58) GABRA1GABRB2FABP3FABP4ALDH1A1
Water SCHEMBL5706121 0.81 FABP3 (0.58) GABRA1GABRB2FABP3FABP4ALDH1A1
SCHEMBL6910525 0.81 FABP3 (0.58) GABRA1GABRB2FABP3FABP4ALDH1A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017131500-A1 NOVEL COMPOUND HAVING HSP90 INHIBITORY ACTIVITY OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND MEDICAL USE THEREOF 계명대학교 산학협력단 2017-08-03 WO disclosed
CN-103782242-B Toner 佳能株式会社 2017-06-23 CN disclosed
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-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-20140205943-A1 TONER CANON KABUSHIKI KAISHA (JP) 2014-07-24 US disclosed
US-7319101-B2 COMT inhibitors for the treatment of depression and impaired cognition HOFFMANN-LA ROCHE INC. (US) 2008-01-15 US disclosed
US-7319101-B2 COMT inhibitors for the treatment of depression and impaired cognition HOFFMANN-LA ROCHE INC. (US) 2008-01-15 US disclosed
US-7319101-B2 COMT inhibitors for the treatment of depression and impaired cognition HOFFMANN-LA ROCHE INC. (US) 2008-01-15 US disclosed
EP-1697394-B1 COMT INHIBITORS HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
EP-1697394-B1 COMT INHIBITORS HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
CN-1886416-A COMT inhibitors HOFFMANN LA ROCHE (CH) 2006-12-27 CN disclosed
EP-1697394-A2 COMT INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-06 EP disclosed
WO-2005058228-A2 COMT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
WO-2005058228-A2 COMT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050137162-A1 New COMT inhibitors for the treatment of depression and impaired cognition F. HOFFMANN-LA ROCHE AG (CH) 2005-06-23 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-20050137162-A1 New COMT inhibitors for the treatment of depression and impaired cognition COMT, MAOB, TPH1 GABRA1 926/4885GABRB2 1460/4885FABP3 4312/4885

“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.