SCHEMBL10107523

SCHEMBL10107523

CCCCOc1cnc(OC)c(C)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 2/20 0.37
TSHR P16473 2/20 0.37
CA9 Q16790 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PLA2G4B P0C869 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL15831704 0.85 RXRA (0.36) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13075016 0.81 KDM4E (0.39) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL10101801 0.78 MRGPRX4 (0.48) NPC1RAB9ASMN1; SMN2
SCHEMBL15831705 0.75 RAB9A (0.40) PPARAKDM4ENPC1ALDH1A1RAB9A
SCHEMBL21826454 0.75 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2CA9HSD17B10
SCHEMBL27845339 0.72 PTPN11 (0.47) CA9
SCHEMBL6128444 0.71 PDE4A (0.47) ALDH1A1TP53TSHRCA9PLA2G4B
SCHEMBL10107491 0.70 NPC1 (0.43) PPARAKDM4ENPC1ALDH1A1RAB9A
SCHEMBL13154632 0.70 THRA (0.46) TP53TSHRPLA2G4B
SCHEMBL18523517 0.70 RARB (0.40) TP53TSHR

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
US-8828988-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
US-8367654-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20120108569-A1 8-AZA Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-03 US disclosed
WO-2010129055-A1 8-AZA TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2010-11-11 WO 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-20120108569-A1 8-AZA Tetracycline Compounds TET1, TET3, HDAC8 PPARA 3338/4885KDM4E 195/4885NPC1 2279/4885

“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.