SCHEMBL19002198

SCHEMBL19002198

COC(=O)CCC(C(=O)OC)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
ALDH1A1 P00352 2/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AKT1 P31749 1/20 0.42
ALOX5 P09917 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL12158259 0.89 TSHR (0.49) KMT2ACA12CA7CA9CA14
SCHEMBL7980726 0.88 KMT2A (0.55) KMT2AALDH1A1ESR1ESR2MEN1
SCHEMBL11062361 0.87 CA12 (0.47) KMT2ACA12CA7CA9CA14
SCHEMBL7751977 0.85 KMT2A (0.51) KMT2AALDH1A1ESR1ESR2MEN1
SCHEMBL19586242 0.84 HPGD (0.49) KMT2AALDH1A1ESR1ESR2MEN1
SCHEMBL21465795 0.84 ALDH1A1 (0.49) KMT2AALDH1A1ESR1ESR2MEN1
SCHEMBL2288515 0.83 KMT2A (0.56) KMT2AESR1ESR2MEN1GAA
SCHEMBL1545921 0.83 KMT2A (0.56) KMT2AALDH1A1ESR1ESR2MEN1
SCHEMBL6390962 0.83 KMT2A (0.56) KMT2AALDH1A1ESR1ESR2MEN1
SCHEMBL28970084 0.82 MTNR1A (0.53) KMT2ACA12CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181546-B1 METHOD OF DOUBLE CARBONYLATION OF ALLYLIC ALCOHOLS IN ORDER TO FORM CORRESPONDING DIESTERS EVONIK DEGUSSA GMBH (DE) 2018-05-02 EP disclosed
EP-3181547-B1 METHOD FOR DOUBLE CARBONYLATION OF ALLYL ETHERS TO CORRESPONDING DIESTERS EVONIK DEGUSSA GMBH (DE) 2018-04-04 EP disclosed
US-9850194-B2 Process for double carbonylation of allyl alcohols to corresponding diesters EVONIK DEGUSSA GMBH (DE) 2017-12-26 US disclosed
US-9850194-B2 Process for double carbonylation of allyl alcohols to corresponding diesters EVONIK DEGUSSA GMBH (DE) 2017-12-26 US disclosed
US-9815766-B2 Process for double carbonylation of allyl ethers to corresponding diesters EVONIK DEGUSSA GMBH (DE) 2017-11-14 US disclosed
US-20170174610-A1 PROCESS FOR DOUBLE CARBONYLATION OF ALLYL ALCOHOLS TO CORRESPONDING DIESTERS EVONIK DEGUSSA GMBH (DE) 2017-06-22 US disclosed
US-20170174610-A1 PROCESS FOR DOUBLE CARBONYLATION OF ALLYL ALCOHOLS TO CORRESPONDING DIESTERS EVONIK DEGUSSA GMBH (DE) 2017-06-22 US disclosed
US-20170174609-A1 PROCESS FOR DOUBLE CARBONYLATION OF ALLYL ETHERS TO CORRESPONDING DIESTERS EVONIK DEGUSSA GMBH (DE) 2017-06-22 US disclosed
EP-3181546-A1 METHOD OF DOUBLE CARBONYLATION OF ALLYLIC ALCOHOLS IN ORDER TO FORM CORRESPONDING DIESTERS Evonik Degussa GmbH (DE) 2017-06-21 EP disclosed
EP-3181547-A1 METHOD FOR DOUBLE CARBONYLATION OF ALLYL ETHERS TO CORRESPONDING DIESTERS Evonik Degussa GmbH (DE) 2017-06-21 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-20170174609-A1 PROCESS FOR DOUBLE CARBONYLATION OF ALLYL ETHERS TO CORRESPONDING DIESTERS CBR3, CBR1, EPOR KMT2A 1663/4885CA12 428/4885CA7 1141/4885
US-20170174610-A1 PROCESS FOR DOUBLE CARBONYLATION OF ALLYL ALCOHOLS TO CORRESPONDING DIESTERS CBR3, ADH1C, CBR1 KMT2A 2008/4885CA12 430/4885CA7 897/4885

“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.