SCHEMBL9960712

SCHEMBL9960712

Cc1cc(C)c(C2=CC(O)c3ccccc32)c(C)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.36
MYC P01106 1/20 0.34
KMT2A Q03164 4/20 0.33
MAPT P10636 2/20 0.33
APAF1 O14727 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LDHA P00338 3/20 0.32
LDHB P07195 2/20 0.32
POLB P06746 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
MCL1 Q07820 1/20 0.31
CYP3A4 P08684 2/20 0.30
ACHE P22303 1/20 0.30
MEN1 O00255 1/20 0.30
ATM Q13315 1/20 0.30
LMNA P02545 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
SCHEMBL9960649 0.81 MYC (0.33) MYCKMT2AMAPTAPAF1ALDH1A1
SCHEMBL9960784 0.81 MEN1 (0.37) KMT2AMAPTALDH1A1HTTPOLB
SCHEMBL9960663 0.79 HTT (0.44) KMT2AMAPTAPAF1ALDH1A1HTT
SCHEMBL28660408 0.78 TTR (0.46) TTRMYCKMT2AMAPTAPAF1
SCHEMBL9961055 0.76 ATM (0.34) MYCKMT2AMAPTAPAF1ALDH1A1
SCHEMBL9961025 0.75 GRIA2 (0.37) TTRMYC
SCHEMBL9960677 0.75 ELANE (0.34) MYCKMT2AMAPTAPAF1ALDH1A1
SCHEMBL9960619 0.74 HTT (0.47) KMT2AMAPTAPAF1ALDH1A1HTT
SCHEMBL9960566 0.74 MYC (0.34) MYCKMT2AMAPTAPAF1ALDH1A1
SCHEMBL9960591 0.74 KMT2A (0.33) TTRMYCKMT2AMAPTAPAF1

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 4086/4885MYC 2138/4885KMT2A 4780/4885

“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.