SCHEMBL9960762

SCHEMBL9960762

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NAPRT Q6XQN6 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
MAPT P10636 2/20 0.32
MAOA P21397 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
AOC1 P19801 1/20 0.31
MAOB P27338 1/20 0.31
PDK2 Q15119 1/20 0.30
ADRA2A P08913 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
SCHEMBL9960595 0.83 HDAC1 (0.36) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL9960649 0.82 MYC (0.33) ALDH1A1HPGDMEN1KMT2ARAB9A
SCHEMBL9960677 0.81 ELANE (0.34) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL9960566 0.80 MYC (0.34) ALDH1A1MEN1KMT2ACYP3A4NPC1
SCHEMBL9960591 0.80 KMT2A (0.33) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL9960671 0.73 ACHE (0.33) KDM4EMAPTSMN1; SMN2
SCHEMBL9960598 0.72 CXCR5 (0.35) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL9960838 0.71 TP53 (0.37) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL9960041 0.71 MAPT (0.44) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL9960712 0.70 TTR (0.36) ALDH1A1MEN1KMT2ACYP3A4RAB9A

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 ALDH1A1 2403/4885HPGD 905/4885MEN1 4628/4885

“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.