SCHEMBL3863479

SCHEMBL3863479

CC1C=C(OC(=O)COc2ccccc2)CCCCCCCCCCCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 4/20 0.40
SIGMAR1 Q99720 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
EPHX2 P34913 1/20 0.40
RAB9A P51151 1/20 0.40
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3863476 1.00 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNASIGMAR1NPC1
SCHEMBL3863477 1.00 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNASIGMAR1NPC1
SCHEMBL3673618 0.78 KMT2A (0.36) ALDH1A1SMN1; SMN2LMNAALOX15KDM4E
SCHEMBL3673615 0.78 KMT2A (0.36) ALDH1A1SMN1; SMN2LMNAALOX15KDM4E
SCHEMBL3673617 0.78 KMT2A (0.36) ALDH1A1SMN1; SMN2LMNAALOX15KDM4E
SCHEMBL3870186 0.78 KMT2A (0.36) ALDH1A1SMN1; SMN2LMNAALOX15KDM4E
SCHEMBL3673620 0.78 KMT2A (0.36) ALDH1A1SMN1; SMN2LMNAALOX15KDM4E
SCHEMBL3870184 0.78 KMT2A (0.36) ALDH1A1SMN1; SMN2LMNAALOX15KDM4E
SCHEMBL3862335 0.78 KMT2A (0.47) ALDH1A1SMN1; SMN2LMNAKDM4EMEN1
SCHEMBL3862337 0.78 KMT2A (0.47) ALDH1A1SMN1; SMN2LMNAKDM4EMEN1

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 171/4885SMN1; SMN2 977/4885LMNA 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.