SCHEMBL3862200

SCHEMBL3862200

CCCCCC(=O)O/C1=C\C(C)CCCCCCCCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.48
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX15 P16050 1/20 0.39
CYP19A1 P11511 1/20 0.36
PTPN1 P18031 1/20 0.36
NLRP3 Q96P20 1/20 0.36
EPHX2 P34913 1/20 0.36
PRKCA P17252 2/20 0.35

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
SCHEMBL3862196 1.00 NAAA (0.48) NAAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL3862201 1.00 NAAA (0.48) NAAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL3864035 0.99 NAAA (0.50) NAAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL3863313 0.99 NAAA (0.50) NAAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL3862025 0.99 NAAA (0.50) NAAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL3863311 0.99 NAAA (0.50) NAAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL3863309 0.99 NAAA (0.50) NAAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL3862027 0.99 NAAA (0.50) NAAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL3864034 0.99 NAAA (0.50) NAAAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL3863567 0.99 NAAA (0.50) NAAAKMT2ASMN1; SMN2MEN1ALDH1A1

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 553/4885SMN1; SMN2 977/4885

“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.