SCHEMBL9960508

SCHEMBL9960508

O=C(O)c1cccc(C2=CC(O)c3ccccc32)c1NCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ASPH Q12797 2/20 0.45
KDM8 Q8N371 2/20 0.45
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
PPARG P37231 1/20 0.39
KDM5B Q9UGL1 1/20 0.38
KDM6B O15054 1/20 0.38
KDM4A O75164 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
CHRNB2 P17787 1/20 0.37

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
SCHEMBL9960041 0.82 MAPT (0.44) KDM4EKMT2AALDH1A1L3MBTL1POLB
SCHEMBL9960595 0.81 HDAC1 (0.36) KDM4EASPHKDM8KMT2AALDH1A1
SCHEMBL9960493 0.81 MAPT (0.45) KMT2AALDH1A1L3MBTL1MAPTMEN1
SCHEMBL9960495 0.79 GAA (0.39) KMT2AALDH1A1L3MBTL1HPGDHSD17B10
SCHEMBL2457029 0.78 ALDH1A1 (0.43) KDM4EKMT2AALDH1A1L3MBTL1POLB
SCHEMBL9960652 0.75 HNF4A (0.49) KDM4EKMT2AALDH1A1L3MBTL1HSD17B10
SCHEMBL9960813 0.75 MYC (0.44) KDM4EKMT2AALDH1A1L3MBTL1POLB
SCHEMBL9960810 0.75 NR4A1 (0.41) KMT2AALDH1A1L3MBTL1HSD17B10MAPT
SCHEMBL9960570 0.75 G6PD (0.44) KDM4EKMT2AALDH1A1L3MBTL1POLB
SCHEMBL9960605 0.72 ALDH1A1 (0.38) KDM4EKMT2AALDH1A1L3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130331446-A1 3-ACYL-INGENOLS II LEO LABORATORIES LIMITED (IE) 2013-12-12 US claimed
EP-2655312-A1 3-ACYL-INGENOLS II LEO LABORATORIES LIMITED (IE) 2013-10-30 EP claimed
WO-2012083954-A1 3-ACYL-INGENOLS II LEO PHARMA A/S (DK) 2012-06-28 WO claimed
US-9656945-B2 3-acyl-ingenols II LEO LABORATORIES LIMITED (IE) 2017-05-23 US disclosed
US-20130331446-A1 3-ACYL-INGENOLS II LEO LABORATORIES LIMITED (IE) 2013-12-12 US disclosed
EP-2655312-A1 3-ACYL-INGENOLS II LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012083954-A1 3-ACYL-INGENOLS II LEO PHARMA A/S (DK) 2012-06-28 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-20130331446-A1 3-ACYL-INGENOLS II IL33, CXCL8, MMP8 KDM4E 4448/4885ASPH 3397/4885KDM8 1160/4885

“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.