SCHEMBL7123571

SCHEMBL7123571

COC(=O)Cc1ccc(OC)c(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
AOC3 Q16853 1/20 0.46
TSHR P16473 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
CYP2C19 P33261 1/20 0.44
APP P05067 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM2 P08172 1/20 0.43
SLC6A4 P31645 1/20 0.43
OPRD1 P41143 1/20 0.43

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
SCHEMBL7151000 0.85 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2GAATDP1
SCHEMBL19693018 0.84 KMT2A (0.54) KDM4EALDH1A1SMN1; SMN2GAATDP1
SCHEMBL27336582 0.84 KMT2A (0.52) KDM4EALDH1A1TDP1L3MBTL1TSHR
SCHEMBL30969123 0.84 HSD17B10 (0.57) KDM4EALDH1A1SMN1; SMN2GAATDP1
SCHEMBL151820 0.84 HSD17B10 (0.57) KDM4EALDH1A1SMN1; SMN2GAATDP1
SCHEMBL10823796 0.84 CYP3A4 (0.55) KDM4EALDH1A1SMN1; SMN2GAATDP1
SCHEMBL12072042 0.83 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2GAATDP1
SCHEMBL3856942 0.83 PDE4D (0.49) KDM4EALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL27714323 0.82 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2GAATDP1
SCHEMBL6904741 0.82 AOC3 (0.50) KDM4EALDH1A1SMN1; SMN2GAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
WO-2003076403-A1 1,2-DISUBSTITUDED-6-OXO-3-PHENYL-PIPERIDINE-3-CARBOXAMIDES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2003-09-18 WO disclosed
US-20030171588-A1 1,2-disubstituted-6-oxo-3-phenyl-piperidine-3-carboxamides and combinatorial libraries thereof LION BIOSCIENCE AG (DE) 2003-09-11 US 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 (2 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-20030171588-A1 1,2-disubstituted-6-oxo-3-phenyl-piperidine-3-carboxamides and combinatorial libraries thereof BRD4, BICRA, HDAC6 KDM4E 407/4885ALDH1A1 1504/4885SMN1; SMN2 1499/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 KDM4E 128/4885ALDH1A1 1939/4885SMN1; SMN2 3120/4885

“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.