SCHEMBL3873509

SCHEMBL3873509

CCO/C1=C\C(C)CCCCCCCCCCCC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
RAB9A P51151 4/20 0.33
LMNA P02545 4/20 0.33
NPC1 O15118 3/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
APOBEC3G Q9HC16 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
ALOX12 P18054 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3873505 1.00 ALDH1A1 (0.33) ALDH1A1RAB9ALMNANPC1KMT2A
SCHEMBL3873512 1.00 ALDH1A1 (0.33) ALDH1A1RAB9ALMNANPC1KMT2A
SCHEMBL10454264 0.92 KMT2A (0.30) KMT2A
SCHEMBL3871044 0.86 CYP1A2 (0.37) ALDH1A1LMNAKMT2AGAAMEN1
SCHEMBL3871042 0.86 CYP1A2 (0.37) ALDH1A1LMNAKMT2AGAAMEN1
SCHEMBL3871047 0.86 CYP1A2 (0.37) ALDH1A1LMNAKMT2AGAAMEN1
SCHEMBL3863861 0.84 TSHR (0.36) ALDH1A1RAB9AKMT2AHPGDMEN1
SCHEMBL3863855 0.84 TSHR (0.36) ALDH1A1RAB9AKMT2AHPGDMEN1
SCHEMBL3863858 0.84 TSHR (0.36) ALDH1A1RAB9AKMT2AHPGDMEN1
SCHEMBL3870916 0.81 POLB (0.30)

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 171/4885RAB9A 3739/4885LMNA 2057/4885

“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.