SCHEMBL15782876

SCHEMBL15782876

CCc1nc2ccccc2c(O)c1C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HSD17B10 Q99714 2/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
RAD52 P43351 1/20 0.46
FABP3 P05413 1/20 0.45
FABP4 P15090 1/20 0.45
FABP5 Q01469 1/20 0.45
ALDH1A1 P00352 4/20 0.43
NMT2 O60551 1/20 0.43
NMT1 P30419 1/20 0.43
DHODH Q02127 1/20 0.42
PDE10A Q9Y233 1/20 0.42
ERN1 O75460 1/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL4992903 0.89 FABP3 (0.52) KDM4EL3MBTL1GAAMEN1KMT2A
SCHEMBL22042252 0.85 KDM4E (0.45) KDM4EHSD17B10TP53GAAPOLB
SCHEMBL9821062 0.83 HSD17B10 (0.68) KDM4EL3MBTL1HSD17B10TP53GAA
SCHEMBL11075264 0.82 KDM4E (0.61) KDM4EGAAMEN1KMT2ASMN1; SMN2
SCHEMBL4471456 0.81 FABP3 (0.55) KDM4EL3MBTL1GAAMEN1KMT2A
SCHEMBL9779309 0.80 TP53 (0.54) HSD17B10TP53MEN1KMT2APOLB
SCHEMBL31036205 0.80 TP53 (0.54) HSD17B10TP53MEN1KMT2APOLB
Ethyl Acetate SCHEMBL11084099 0.77 KDM4E (0.52) KDM4EL3MBTL1HSD17B10TP53GAA
SCHEMBL27999716 0.77 POLB (0.50) KDM4EL3MBTL1HSD17B10GAAMEN1
SCHEMBL621336 0.75 HSD17B10 (0.56) KDM4EL3MBTL1HSD17B10TP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365493-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-06-14 US disclosed
US-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-12 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 (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-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC KDM4E 800/4885L3MBTL1 473/4885HSD17B10 2440/4885

“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.