SCHEMBL265668

SCHEMBL265668

ON=C(CCl)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.50
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
LMNA P02545 5/20 0.40
ALOX15 P16050 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
IDO1 P14902 1/20 0.38
CTBP2 P56545 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL1546560 0.80 GAA (0.50) GSK3BCES2CES1LMNAALOX15
SCHEMBL11093321 0.80 GSK3B (0.52) GSK3BCES2CES1LMNAALOX15
SCHEMBL1546559 0.80 GAA (0.50) GSK3BCES2CES1LMNAALOX15
SCHEMBL11656813 0.80 CES2 (0.39) GSK3BCES2CES1LMNAALOX15
SCHEMBL11656817 0.80 CES2 (0.39) GSK3BCES2CES1LMNAALOX15
SCHEMBL11093317 0.80 GSK3B (0.52) GSK3BCES2CES1LMNAALOX15
SCHEMBL29036947 0.80 CES2 (0.39) CES2CES1LMNAKDM4ECA1
SCHEMBL8847229 0.79 ALDH1A1 (0.48) GSK3BCES1ALOX15L3MBTL1CYP3A4
Water SCHEMBL11270158 0.77 ALDH1A1 (0.46) GSK3BCES1ALOX15L3MBTL1CYP3A4
SCHEMBL5468294 0.75 ALDH1A1 (0.45) GSK3BLMNATSHRL3MBTL1CYP3A4

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
EP-1655070-B1 OXIDATION CATALYST ASAHI KASEI CHEMICALS CORP (JP) 2015-07-15 EP disclosed
US-8133834-B2 Oxidation catalyst ASAHI KASEI CHEMICALS CORPORATION (JP) 2012-03-13 US disclosed
CN-1835800-B Oxidation catalyst ASAHI CHEMICAL CORP (JP) 2010-04-28 CN disclosed
US-20100069670-A1 Oxidation catalyst ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-03-18 US disclosed
US-20060229471-A1 Oxidation catalyst ASAHI KASEI CHEMICALS CORPORATION (JP) 2006-10-12 US disclosed
CN-1835800-A Oxidation catalyst ASAHI CHEMICAL CORP (JP) 2006-09-20 CN disclosed
EP-1655070-A1 OXIDATION CATALYST Asahi Kasei Chemicals Corporation (JP) 2006-05-10 EP 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 (2 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-20100069670-A1 Oxidation catalyst PPOX, SOD1, HAO2 GSK3B 4503/4885CES2 1489/4885CES1 3710/4885
US-20060229471-A1 Oxidation catalyst PPOX, SOD1, HAO2 GSK3B 4503/4885CES2 1489/4885CES1 3710/4885

“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.