SCHEMBL9960656

SCHEMBL9960656

O=C(O)c1c(Cl)cc(Cl)c(C2=CC(O)c3ccccc32)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.36
PDK2 Q15119 4/20 0.33
TSHR P16473 1/20 0.31
KMT2A Q03164 2/20 0.31
PPIA P62937 1/20 0.31
FABP7 O15540 1/20 0.30
FABP5 Q01469 1/20 0.30
EDNRB P24530 1/20 0.30
EDNRA P25101 1/20 0.30
MEN1 O00255 1/20 0.30
PLA2G1B P04054 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
ATG4B Q9Y4P1 1/20 0.30
ALPL P05186 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 0.81 DPP4 (0.37) TTRPDK2TSHRKMT2APPIA
SCHEMBL9960712 0.74 TTR (0.36) TTRKMT2AEDNRBEDNRAMEN1
SCHEMBL9960689 0.74 DPP4 (0.35) PDK2KMT2APPIAFABP7FABP5
SCHEMBL9960591 0.74 KMT2A (0.33) TTRKMT2AMEN1
SCHEMBL9961055 0.71 ATM (0.34) TSHRKMT2AMEN1POLB
SCHEMBL9960633 0.71 FABP3 (0.36) FABP5GAA
SCHEMBL2457029 0.69 ALDH1A1 (0.43) KMT2AMEN1POLBGAA
SCHEMBL9960784 0.69 MEN1 (0.37) KMT2AFABP7FABP5EDNRBEDNRA
SCHEMBL9960663 0.68 HTT (0.44) KMT2AMEN1POLB
SCHEMBL9961060 0.68 MEN1 (0.42) KMT2AEDNRBEDNRAMEN1

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 TTR 4086/4885PDK2 2357/4885TSHR 2365/4885

“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.