SCHEMBL2837484

SCHEMBL2837484

[O]C(=O)C(C1CCCCC1)C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.61
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
EPHX2 P34913 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
TP53 P04637 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
MMP2 P08253 2/20 0.36
CA9 Q16790 2/20 0.36
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
SCHEMBL2848891 0.97 EPHX1 (0.56) EPHX1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11197502 0.80 EPHX1 (0.64) EPHX1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10660120 0.78 EPHX1 (0.61) EPHX1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL66996 0.78 EPHX1 (0.61) EPHX1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17316191 0.78 EPHX1 (0.61) EPHX1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13301086 0.76 EPHX1 (0.58) EPHX1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2844090 0.76 EPHX1 (0.58) EPHX1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12515689 0.76 EPHX1 (0.58) EPHX1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1712104 0.76 EPHX1 (1.00) EPHX1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2145781 0.76 EPHX1 (0.58) EPHX1NPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US claimed
CN-1315955-A Novel carbapenem derivatives MEIJI SEIKA KAISHA (JP) 2001-10-03 CN claimed
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
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
EP-2647616-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL 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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 US disclosed
CN-1315955-A Novel carbapenem derivatives MEIJI SEIKA KAISHA (JP) 2001-10-03 CN 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 (3 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 1122/4885NPC1 2005/4885RAB9A 4303/4885
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, NQO1, CBR3 EPHX1 931/4885NPC1 1457/4885RAB9A 3893/4885
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL MSMO1, GGPS1, MAN1B1 EPHX1 40/4885NPC1 1252/4885RAB9A 3608/4885

“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.