SCHEMBL9960685

SCHEMBL9960685

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

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPIA P62937 2/20 0.33
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 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
KMT2A Q03164 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9960689 0.84 DPP4 (0.35) PPIAALDH1A1MEN1LMNAPOLB
SCHEMBL9960566 0.84 MYC (0.34) ALDH1A1MEN1LMNAPOLBMAPT
SCHEMBL9960795 0.81 CA12 (0.41) ALDH1A1MEN1LMNAPOLBMAPT
SCHEMBL9960570 0.78 G6PD (0.44) ALDH1A1MEN1LMNAPOLBMAPT
SCHEMBL9960705 0.73 MEN1 (0.33) MEN1MAPTMAPK1KMT2AKDM4E
SCHEMBL9960649 0.73 MYC (0.33) ALDH1A1MEN1POLBMAPTKMT2A
SCHEMBL9960642 0.73 ACMSD (0.38) PPIAALDH1A1MEN1LMNAPOLB
SCHEMBL9961060 0.73 MEN1 (0.42) ALDH1A1MEN1KMT2AEDNRBEDNRA
SCHEMBL9960620 0.73 DPP4 (0.37) PPIAALDH1A1MEN1LMNAPOLB
SCHEMBL2457029 0.72 ALDH1A1 (0.43) ALDH1A1MEN1LMNAPOLBMAPT

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 PPIA 3799/4885LTB4R 38/4885LTB4R2 29/4885

“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.