SCHEMBL3863986

SCHEMBL3863986

CC(C)C(=O)O/C1=C/[C@H](C)CCCCCCCCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.33
ELANE P08246 2/20 0.33
CYP19A1 P11511 1/20 0.33
ESR1 P03372 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.31
EPHX1 P07099 1/20 0.31
EPHX2 P34913 1/20 0.31
FGFR1 P11362 1/20 0.30

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
SCHEMBL3863990 1.00 SLC6A3 (0.33) SLC6A3ELANECYP19A1ESR1ALOX15
SCHEMBL3863989 1.00 SLC6A3 (0.33) SLC6A3ELANECYP19A1ESR1ALOX15
SCHEMBL3867893 1.00 SLC6A3 (0.33) SLC6A3ELANECYP19A1ESR1ALOX15
SCHEMBL3863992 1.00 SLC6A3 (0.33) SLC6A3ELANECYP19A1ESR1ALOX15
SCHEMBL3867892 1.00 SLC6A3 (0.33) SLC6A3ELANECYP19A1ESR1ALOX15
SCHEMBL3861844 0.83 SLC6A3 (0.37) SLC6A3KMT2AEPHX1EPHX2
SCHEMBL3861842 0.83 SLC6A3 (0.37) SLC6A3KMT2AEPHX1EPHX2
SCHEMBL3861847 0.83 SLC6A3 (0.37) SLC6A3KMT2AEPHX1EPHX2
SCHEMBL5191282 0.82 ESR1 (0.39) SLC6A3ESR1KMT2A
SCHEMBL3758703 0.82 ESR1 (0.39) SLC6A3ESR1KMT2A

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 1984/4885ELANE 3903/4885CYP19A1 8/4885

“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.