SCHEMBL2842397

SCHEMBL2842397

NC(=O)C(C1CCCC1)C1CCCC1

nearest known ligand 0.95

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.95
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.37
DPP4 P27487 1/20 0.36

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
SCHEMBL28324199 0.97 EPHX1 (1.00) EPHX1ALDH1A1TP53DPP4
Hydrochloric Acid SCHEMBL28819701 0.97 EPHX1 (0.90) EPHX1ALDH1A1TP53DPP4
SCHEMBL1712104 0.97 EPHX1 (1.00) EPHX1ALDH1A1TP53DPP4
Hydrochloric Acid SCHEMBL28077546 0.95 EPHX1 (0.95) EPHX1ALDH1A1TP53DPP4
SCHEMBL8743953 0.88 EPHX1 (0.75) EPHX1
SCHEMBL1698333 0.87 EPHX1 (0.79) EPHX1ALDH1A1TP53DPP4
SCHEMBL1698331 0.87 EPHX1 (0.79) EPHX1ALDH1A1TP53DPP4
SCHEMBL5178936 0.85 EPHX1 (0.76) EPHX1ALDH1A1TP53DPP4
SCHEMBL1698398 0.85 EPHX1 (0.76) EPHX1ALDH1A1TP53DPP4
SCHEMBL1698383 0.80 EPHX1 (0.68) EPHX1ALDH1A1TP53DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110404073-B Methods and pharmaceutical compositions for treating hepatitis B virus infection 国家医疗保健研究所 2022-08-16 CN disclosed
CN-105764569-A Methods and pharmaceutical compositions for treating hepatitis B virus infection 国家医疗保健研究所 2016-07-13 CN disclosed
EP-2438989-B1 USE OF ASYMMETRIC HYDROGENATION CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2016-04-13 EP disclosed
US-9061959-B2 Method for manufacturing optically active menthol TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-06-23 US disclosed
US-9000192-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-04-07 US disclosed
US-8674144-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-03-18 US disclosed
EP-2647616-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL Takasago International Corporation (JP) 2013-10-09 EP disclosed
EP-2646150-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME Takasago International Corporation (JP) 2013-10-09 EP disclosed
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-26 US disclosed
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-08-22 US disclosed
EP-2543437-A2 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST Takasago International Corporation (JP) 2013-01-09 EP disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
WO-2012074128-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-06-07 WO disclosed
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-31 US disclosed
EP-2457655-A2 Catalyst for asymmetric hydrogenation comprising peptides and method for manufacturing optically active carbonyl compound using the same Takasago International Corporation (JP) 2012-05-30 EP disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 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 (4 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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 EPHX1 1122/4885ALDH1A1 223/4885TP53 2576/4885
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 EPHX1 1110/4885ALDH1A1 122/4885TP53 2581/4885
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, NQO1, CBR3 EPHX1 931/4885ALDH1A1 61/4885TP53 3197/4885
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL MSMO1, GGPS1, MAN1B1 EPHX1 40/4885ALDH1A1 79/4885TP53 4006/4885

“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.