SCHEMBL3863797

SCHEMBL3863797

CCCC(=O)O/C1=C/C(C)CCCCCCCCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
NAAA Q02083 2/20 0.35
ALOX15 P16050 1/20 0.35
BCL9 O00512 1/20 0.33
CTNNB1 P35222 1/20 0.33
CYP19A1 P11511 1/20 0.33
SLC18A3 Q16572 1/20 0.33
NLRP3 Q96P20 1/20 0.33
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 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
SCHEMBL3869890 1.00 ALDH1A1 (0.35) ALDH1A1NAAAALOX15BCL9CTNNB1
SCHEMBL3863803 1.00 ALDH1A1 (0.35) ALDH1A1NAAAALOX15BCL9CTNNB1
SCHEMBL3863799 1.00 ALDH1A1 (0.35) ALDH1A1NAAAALOX15BCL9CTNNB1
SCHEMBL3869884 1.00 ALDH1A1 (0.35) ALDH1A1NAAAALOX15BCL9CTNNB1
SCHEMBL3869888 1.00 ALDH1A1 (0.35) ALDH1A1NAAAALOX15BCL9CTNNB1
SCHEMBL3861789 0.92 NAAA (0.42) ALDH1A1NAAAALOX15CYP19A1KMT2A
SCHEMBL3861787 0.92 NAAA (0.42) ALDH1A1NAAAALOX15CYP19A1KMT2A
SCHEMBL3861792 0.92 NAAA (0.42) ALDH1A1NAAAALOX15CYP19A1KMT2A
SCHEMBL3862196 0.90 NAAA (0.48) ALDH1A1NAAAALOX15CYP19A1NLRP3
SCHEMBL3862201 0.90 NAAA (0.48) ALDH1A1NAAAALOX15CYP19A1NLRP3

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 ALDH1A1 171/4885NAAA 3544/4885ALOX15 906/4885

“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.