SCHEMBL9960671

SCHEMBL9960671

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
MMP14 P50281 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
CDC25B P30305 1/20 0.30
METAP2 P50579 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
SCHEMBL9960633 0.86 FABP3 (0.36) ACHEKDM4EMAPTMAPK1MMP14
SCHEMBL9960705 0.86 MEN1 (0.33) ACHEKDM4EMAPTMAPK1MMP14
SCHEMBL9960838 0.85 TP53 (0.37) MAPTSMN1; SMN2
SCHEMBL9960649 0.84 MYC (0.33) MAPT
SCHEMBL9960813 0.76 MYC (0.44) KDM4EMAPTSMN1; SMN2
SCHEMBL9960677 0.75 ELANE (0.34) KDM4EMAPT
SCHEMBL9960591 0.74 KMT2A (0.33) MAPTMAPK1FABP3FABP4
SCHEMBL9960566 0.74 MYC (0.34) MAPTMAPK1SMN1; SMN2
SCHEMBL9960762 0.73 ALDH1A1 (0.33) KDM4EMAPTSMN1; SMN2
SCHEMBL9960041 0.73 MAPT (0.44) KDM4EMAPTMAPK1MMP14SMN1; 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 ACHE 2678/4885KDM4E 4448/4885MAPT 4721/4885

“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.