SCHEMBL3863567

SCHEMBL3863567

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.50
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
PTPN1 P18031 1/20 0.38
ALOX15 P16050 1/20 0.38
NLRP3 Q96P20 1/20 0.38
DGKA P23743 1/20 0.37
PRKCA P17252 3/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL3862022 1.00 NAAA (0.50) NAAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL3863560 1.00 NAAA (0.50) NAAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL3864035 1.00 NAAA (0.50) NAAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL3864034 1.00 NAAA (0.50) NAAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL3863313 1.00 NAAA (0.50) NAAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL3862025 1.00 NAAA (0.50) NAAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL3863311 1.00 NAAA (0.50) NAAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL3862027 1.00 NAAA (0.50) NAAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL3863309 1.00 NAAA (0.50) NAAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL3863562 1.00 NAAA (0.50) NAAAKMT2AMEN1ALDH1A1MAPK1

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 NAAA 3544/4885KMT2A 553/4885MEN1 57/4885

“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.