SCHEMBL9960633

SCHEMBL9960633

CNc1ccc(C2=CC(O)c3ccccc32)c(Cl)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
CDC25B P30305 1/20 0.32
ACHE P22303 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
MMP14 P50281 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9960671 0.86 ACHE (0.33) FABP3FABP4CDC25BACHEKDM4E
SCHEMBL9960705 0.85 MEN1 (0.33) CDC25BACHEKDM4EMAPTMAPK1
SCHEMBL9960591 0.84 KMT2A (0.33) FABP3FABP4ALDH1A1MAPTMAPK1
SCHEMBL9960620 0.83 DPP4 (0.37) FABP3FABP4KDM4EALDH1A1GAA
SCHEMBL9960689 0.73 DPP4 (0.35) FABP5KDM4EALDH1A1GAAMAPT
SCHEMBL9960649 0.73 MYC (0.33) ALDH1A1MAPT
SCHEMBL9960838 0.72 TP53 (0.37) ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL9960677 0.72 ELANE (0.34) KDM4EALDH1A1MAPT
SCHEMBL9960041 0.72 MAPT (0.44) FABP3FABP4FABP5KDM4EALDH1A1
SCHEMBL9960566 0.71 MYC (0.34) ALDH1A1MAPTMAPK1SMN1; 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 FABP3 994/4885FABP4 1412/4885FABP5 3038/4885

“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.