SCHEMBL9960689

SCHEMBL9960689

Nc1c(C2=CC(O)c3ccccc32)ccc(Cl)c1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.35
PPIA P62937 2/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 3/20 0.31
POLB P06746 3/20 0.31
MEN1 O00255 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
EDNRB P24530 2/20 0.31
EDNRA P25101 2/20 0.31
PBRM1 Q86U86 1/20 0.31
FABP7 O15540 1/20 0.30
FABP5 Q01469 1/20 0.30
PLA2G1B P04054 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL9960620 0.86 DPP4 (0.37) DPP4PPIAALDH1A1KDM4EHSD17B10
SCHEMBL9960685 0.84 PPIA (0.33) PPIAALDH1A1KDM4EKMT2APOLB
SCHEMBL9960566 0.84 MYC (0.34) ALDH1A1KMT2APOLBMEN1LMNA
SCHEMBL9960795 0.81 CA12 (0.41) ALDH1A1KDM4EHSD17B10KMT2APOLB
SCHEMBL9960570 0.78 G6PD (0.44) ALDH1A1KDM4EHSD17B10KMT2APOLB
SCHEMBL9960591 0.76 KMT2A (0.33) ALDH1A1HSD17B10KMT2AMEN1LMNA
SCHEMBL9960656 0.74 TTR (0.36) PPIAKMT2APOLBMEN1EDNRB
SCHEMBL9960633 0.73 FABP3 (0.36) ALDH1A1KDM4EMAPTMAPK1FABP5
SCHEMBL9961060 0.73 MEN1 (0.42) ALDH1A1KDM4EHSD17B10KMT2AMEN1
SCHEMBL9960649 0.73 MYC (0.33) ALDH1A1KMT2APOLBMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656945-B2 3-acyl-ingenols II LEO LABORATORIES LIMITED (IE) 2017-05-23 US claimed
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 DPP4 3428/4885PPIA 3799/4885ALDH1A1 2403/4885

“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.