SCHEMBL9960595

SCHEMBL9960595

Cc1ccc(C2=CC(O)c3ccccc32)c(NCc2ccccc2)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
KDM4E B2RXH2 3/20 0.34
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34
HPGD P15428 4/20 0.34
ALDH1A1 P00352 3/20 0.34
PPARG P37231 3/20 0.34
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL9960495 0.86 GAA (0.39) HDAC1CYP1A2CYP2D6CYP2C19HDAC8
SCHEMBL9960762 0.83 ALDH1A1 (0.33) CYP1A2KDM4EHPGDALDH1A1KMT2A
SCHEMBL9960508 0.81 KDM4E (0.45) KDM4EASPHKDM8HPGDALDH1A1
SCHEMBL9960649 0.80 MYC (0.33) HPGDALDH1A1KMT2AHTTMAPT
SCHEMBL9960677 0.78 ELANE (0.34) KDM4EHPGDALDH1A1KMT2AHTT
SCHEMBL9960566 0.77 MYC (0.34) TSHRMAPK1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9960591 0.77 KMT2A (0.33) MAPK1HPGDALDH1A1KMT2AHTT
SCHEMBL9960598 0.72 CXCR5 (0.35) TSHRKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL9960671 0.71 ACHE (0.33) MAPK1KDM4ESMN1; SMN2MAPT
SCHEMBL9960041 0.69 MAPT (0.44) MAPK1KDM4EALDH1A1KMT2ASMN1; SMN2

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 HDAC1 341/4885CYP1A2 1092/4885CYP2D6 2434/4885

“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.