SCHEMBL39468

SCHEMBL39468

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
HMGB1 P09429 2/20 0.39
CXCL12 P48061 2/20 0.39
RORC P51449 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS2 P35354 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
PPARA Q07869 1/20 0.36
AKR1C2 P52895 3/20 0.35
AKR1C1 Q04828 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 2/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL8375093 0.85 HDAC4 (0.38) TSHRHMGB1CXCL12RORCPPARA
SCHEMBL17774716 0.83 ALDH1A1 (0.45) TSHRHMGB1CXCL12RORCPTGS2
SCHEMBL40170 0.82 ALDH1A1 (0.48) CA12CA1CA2ALOX5PTGS2
SCHEMBL11234329 0.81 RORC (0.46) TSHRHMGB1CXCL12RORCPPARA
SCHEMBL10462620 0.81 RORC (0.54) TSHRHMGB1CXCL12RORCPPARA
SCHEMBL39297 0.79 CA12 (0.48) TSHRRORCCA12CA1CA2
SCHEMBL14135767 0.79 AKR1C2 (0.47) HMGB1CXCL12PTGS2PPARAAKR1C2
SCHEMBL6723601 0.78 HMGB1 (0.35) TSHRHMGB1CXCL12CA12CA1
SCHEMBL29356006 0.77 CA12 (0.43) TSHRHMGB1CXCL12CA12CA1
SCHEMBL9650138 0.77 PTPN1 (0.58) TSHRHMGB1CXCL12PPARAPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 TSHR 2587/4885HMGB1 3875/4885CXCL12 4708/4885

“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.