SCHEMBL2844353

SCHEMBL2844353

[O]C(C1CCCCC1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.43
SHBG P04278 1/20 0.41
TP53 P04637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 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
SCHEMBL2837505 0.96 EPHX1 (0.39) EPHX1SHBGTP53ALDH1A1HSD17B10
SCHEMBL2329057 0.81
SCHEMBL16734999 0.76
SCHEMBL11740672 0.74 EPHX1 (0.39) EPHX1SHBGTP53ALDH1A1HSD17B10
SCHEMBL7669755 0.73
SCHEMBL6673265 0.73 SHBG (0.43) EPHX1SHBGTP53ADH1BADH1C
SCHEMBL20594356 0.73 SHBG (0.43) EPHX1SHBGTP53ADH1BADH1C
SCHEMBL20594181 0.73 SHBG (0.43) EPHX1SHBGTP53ADH1BADH1C
SCHEMBL1240634 0.73 SHBG (0.43) EPHX1SHBGTP53ADH1BADH1C
SCHEMBL3185694 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11181844-B2 Toner and method of producing toner CANON KABUSHIKI KAISHA (JP) 2021-11-23 US disclosed
US-20200379363-A1 TONER AND METHOD OF PRODUCING TONER CANON KABUSHIKI KAISHA (JP) 2020-12-03 US 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
EP-1518851-A1 Process for the preparation of liquid crystalline ethers CLARIANT INTERNATIONAL LTD. (CH) 2005-03-30 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 (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 1122/4885SHBG 1424/4885TP53 2576/4885
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 EPHX1 1110/4885SHBG 544/4885TP53 2581/4885
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, NQO1, CBR3 EPHX1 931/4885SHBG 1737/4885TP53 3197/4885
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL MSMO1, GGPS1, MAN1B1 EPHX1 40/4885SHBG 2556/4885TP53 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.