SCHEMBL3269237

SCHEMBL3269237

COC(=O)c1cc(C)c(C2OCCCO2)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 5/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
FUCA1 P04066 1/20 0.38
CFTR P13569 1/20 0.37
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
ATM Q13315 1/20 0.35
ACHE P22303 2/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3076329 0.71 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL14274486 0.70 MAPT (0.43) ALDH1A1KDM4EHPGDHSD17B10CFTR
SCHEMBL3267498 0.70 MAOA (0.34) NPC1RAB9A
SCHEMBL3159626 0.68 NPC1 (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL243378 0.67 UGT2B17 (0.36) ALDH1A1HPGDSMN1; SMN2NPC1TDP1
SCHEMBL8542643 0.67 KDM4E (0.38) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL3076346 0.67 KDM4E (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL3071700 0.67 KDM4E (0.37) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL29173808 0.66 KDM4E (0.46) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL232535 0.66 MAPT (0.48) ALDH1A1KDM4EHPGDHSD17B10CFTR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1914229-B1 NOVEL CERCOSPORAMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-06-16 EP disclosed
US-20090036492-A1 Novel Cercosporamide Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-05 US disclosed
EP-1914229-A1 NOVEL CERCOSPORAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-04-23 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-20090036492-A1 Novel Cercosporamide Derivative GPR119, CBR3, SLC5A2 ALDH1A1 381/4885KDM4E 3976/4885HPGD 3748/4885

“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.