SCHEMBL9960795

SCHEMBL9960795

COc1ccc(C2=CC(O)c3ccccc32)c(N)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
FABP3 P05413 4/20 0.39
CDC25B P30305 1/20 0.36
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
FABP5 Q01469 4/20 0.35
FABP7 O15540 3/20 0.35
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NR3C1 P04150 1/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL9960747 0.86 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL9960566 0.84 MYC (0.34) EDNRBEDNRAALDH1A1TDP1MAPT
SCHEMBL9960689 0.81 DPP4 (0.35) EDNRBEDNRAFABP5FABP7ALDH1A1
SCHEMBL9960685 0.81 PPIA (0.33) EDNRBEDNRAALDH1A1KDM4EMAPT
SCHEMBL9960495 0.79 GAA (0.39) CA12CA1CA2CA7CA9
SCHEMBL9960570 0.75 G6PD (0.44) CA12CA1CA2CA7CA9
SCHEMBL9960784 0.73 MEN1 (0.37) CA12CA1CA2CA7CA9
SCHEMBL9960649 0.73 MYC (0.33) ALDH1A1HPGDTDP1MAPTMEN1
SCHEMBL9960677 0.72 ELANE (0.34) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL9960605 0.72 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10MAPT

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 CA12 1740/4885CA1 2334/4885CA2 827/4885

“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.