SCHEMBL2845110

SCHEMBL2845110

O=COC(C1CCCCC1)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 3/20 0.32
ADH1C P00326 2/20 0.32
ADH1B P00325 1/20 0.32
ADH4 P08319 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL2846023 0.97 TDP1 (0.33) TDP1
SCHEMBL14040112 0.76 TDP1 (0.40) ADH1AADH1CADH1BADH4TDP1
SCHEMBL1028163 0.76 TDP1 (0.40) ADH1AADH1CADH1BADH4TDP1
SCHEMBL1357779 0.75
SCHEMBL4669976 0.73 TDP1 (0.42) TDP1
SCHEMBL18631712 0.73 TDP1 (0.37) ADH1AADH1CTDP1
SCHEMBL4669958 0.72 ADH1A (0.34) ADH1AADH1CTDP1
SCHEMBL4673520 0.70 TDP1 (0.34) ADH1AADH1CTDP1
SCHEMBL2971810 0.70 TDP1 (0.34) TDP1
SCHEMBL4670336 0.69 ADH1A (0.34) ADH1AADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210348081-A1 METHOD FOR RELEASING ALDEHYDE OR KETONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-11-11 US disclosed
EP-3572518-A1 METHOD FOR RELEASING ALDEHYDE OR KETONE Takasago International Corporation (JP) 2019-11-27 EP disclosed
US-20190338216-A1 METHOD FOR RELEASING ALDEHYDE OR KETONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-11-07 US disclosed
US-10442821-B2 Method for releasing unsaturated aldehyde or ketone TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-10-15 US disclosed
US-20190185494-A1 METHOD FOR RELEASING UNSATURATED ALDEHYDE OR KETONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-06-20 US disclosed
EP-3492570-A1 METHOD FOR RELEASING UNSATURATED ALDEHYDE OR KETONE Takasago International Corporation (JP) 2019-06-05 EP 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-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-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 (8 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 ADH1A 72/4885ADH1C 68/4885ADH1B 282/4885
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 ADH1A 313/4885ADH1C 186/4885ADH1B 256/4885
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, NQO1, CBR3 ADH1A 113/4885ADH1C 80/4885ADH1B 105/4885
US-20190185494-A1 METHOD FOR RELEASING UNSATURATED ALDEHYDE OR KETONE FAAH2, ALDH1A1, FASN ADH1A 65/4885ADH1C 73/4885ADH1B 53/4885
US-10442821-B2 Method for releasing unsaturated aldehyde or ketone FAAH2, ALDH1A1, FASN ADH1A 65/4885ADH1C 73/4885ADH1B 53/4885
US-20190338216-A1 METHOD FOR RELEASING ALDEHYDE OR KETONE APEH, AKR1C3, AKR7A2 ADH1A 39/4885ADH1C 28/4885ADH1B 110/4885
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL MSMO1, GGPS1, MAN1B1 ADH1A 252/4885ADH1C 48/4885ADH1B 214/4885
US-20210348081-A1 METHOD FOR RELEASING ALDEHYDE OR KETONE APEH, AKR7A2, FAAH2 ADH1A 46/4885ADH1C 35/4885ADH1B 91/4885

“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.