SCHEMBL9960598

SCHEMBL9960598

C=CCOc1c(C2=CC(O)c3ccccc32)ccc(C)c1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 1/20 0.35
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
HSP90AA1 P07900 1/20 0.31
HTT P42858 1/20 0.31
PTPRC P08575 1/20 0.30
LIG1 P18858 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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 0.78 MYC (0.33) RAB9AMAPTALDH1A1HPGDHTT
SCHEMBL9960677 0.77 ELANE (0.34) RAB9AMAPTKDM4EALDH1A1HPGD
SCHEMBL9960591 0.76 KMT2A (0.33) RAB9AMAPTALDH1A1HPGDHTT
SCHEMBL9960566 0.76 MYC (0.34) TSHRSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9960762 0.72 ALDH1A1 (0.33) GAASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9960595 0.72 HDAC1 (0.36) TSHRSMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL9960747 0.71 CA12 (0.42) GAASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL16144909 0.69 ALDH1A1 (0.36) GAATSHRSMN1; SMN2NPC1RAB9A
SCHEMBL9960784 0.68 MEN1 (0.37) MAPTKDM4EALDH1A1HPGDHTT
SCHEMBL9960605 0.67 ALDH1A1 (0.38) GAANPC1RAB9AMAPTKDM4E

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 CXCR5 228/4885GAA 3686/4885TSHR 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.