SCHEMBL3861847

SCHEMBL3861847

COC(=O)OC1=CC(C)CCCCCCCCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.37
EPHX2 P34913 2/20 0.33
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
MMP2 P08253 2/20 0.32
CA9 Q16790 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
EPHX1 P07099 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3861842 1.00 SLC6A3 (0.37) SLC6A3EPHX2ALDH1A1NPSR1KMT2A
SCHEMBL3861844 1.00 SLC6A3 (0.37) SLC6A3EPHX2ALDH1A1NPSR1KMT2A
SCHEMBL3758715 0.83 ESR1 (0.39) SLC6A3KMT2ACA1CA2
SCHEMBL3758707 0.83 ESR1 (0.39) SLC6A3KMT2ACA1CA2
SCHEMBL3770909 0.83 ESR1 (0.39) SLC6A3KMT2ACA1CA2
SCHEMBL3758717 0.83 ESR1 (0.39) SLC6A3KMT2ACA1CA2
SCHEMBL3758701 0.83 ESR1 (0.39) SLC6A3KMT2ACA1CA2
SCHEMBL3758703 0.83 ESR1 (0.39) SLC6A3KMT2ACA1CA2
SCHEMBL5191282 0.83 ESR1 (0.39) SLC6A3KMT2ACA1CA2
SCHEMBL3758711 0.83 ESR1 (0.39) SLC6A3KMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1845078-B1 PROCESS FOR PRODUCING LARGE CYCLIC KETONE AND INTERMEDIATE THEREFOR TAKASAGO PERFUMERY CO LTD (JP) 2017-06-07 EP disclosed
US-7479574-B2 Method of producing macrocyclic ketone, and intermediate thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-01-20 US disclosed
US-20070287870-A1 Method of Producing Macrocyclic Ketone, and Intermediate Thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-12-13 US disclosed
EP-1845078-A1 PROCESS FOR PRODUCING LARGE CYCLIC KETONE AND INTERMEDIATE THEREFOR Takasago International Corporation (JP) 2007-10-17 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 (1 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-20070287870-A1 Method of Producing Macrocyclic Ketone, and Intermediate Thereof MSMO1, CYP17A1, DNMT1 SLC6A3 1984/4885EPHX2 1349/4885ALDH1A1 171/4885

“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.