SCHEMBL9960591

SCHEMBL9960591

Cc1ccc(C2=CC(O)c3ccccc32)c(Cl)c1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.33
MEN1 O00255 3/20 0.33
ATM Q13315 1/20 0.33
FABP3 P05413 1/20 0.32
FABP4 P15090 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
MYC P01106 1/20 0.31
TTR P02766 3/20 0.31
AKR1B10 O60218 1/20 0.31
ABCB11 O95342 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CHRM1 P11229 1/20 0.31
FABP2 P12104 1/20 0.31
RXRA P19793 1/20 0.31
TBXA2R P21731 1/20 0.31
NR4A1 P22736 1/20 0.31
PTGS1 P23219 1/20 0.31
PDE4A P27815 1/20 0.31
MAPK1 P28482 1/20 0.31

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) KMT2AMEN1FABP3FABP4ALDH1A1
SCHEMBL9960649 0.86 MYC (0.33) KMT2AMEN1ATMALDH1A1HPGD
SCHEMBL9960677 0.85 ELANE (0.34) KMT2AMEN1ATMALDH1A1HPGD
SCHEMBL9960566 0.84 MYC (0.34) KMT2AMEN1ATMALDH1A1MYC
SCHEMBL9960633 0.84 FABP3 (0.36) FABP3FABP4ALDH1A1MAPK1MAPT
SCHEMBL9960762 0.80 ALDH1A1 (0.33) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL9960595 0.77 HDAC1 (0.36) KMT2AMEN1ALDH1A1HPGDMAPK1
SCHEMBL9960689 0.76 DPP4 (0.35) KMT2AMEN1ALDH1A1MAPK1LMNA
SCHEMBL9960598 0.76 CXCR5 (0.35) ALDH1A1HPGDRAB9AHTTMAPT
SCHEMBL9960671 0.74 ACHE (0.33) FABP3FABP4MAPK1MAPT

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 KMT2A 4780/4885MEN1 4628/4885ATM 3567/4885

“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.