SCHEMBL9960644

SCHEMBL9960644

CC(C(=O)O)(C1=CC(O)c2ccccc21)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
CHRM3 P20309 14/20 0.38
CHRM2 P08172 6/20 0.38
CHRM4 P08173 6/20 0.38
CHRM1 P11229 6/20 0.38
PKM P14618 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL9960707 0.77 ALDH1A1 (0.35) KMT2A
SCHEMBL2788610 0.74 KEAP1 (0.59) KEAP1NFE2L2CHRM3CHRM2CHRM4
SCHEMBL9960856 0.72 PKM (0.33) PKM
SCHEMBL9960728 0.72 PKM (0.33) PKM
SCHEMBL4203042 0.72 KEAP1 (0.61) KEAP1NFE2L2CHRM3CHRM2CHRM4
SCHEMBL4213705 0.72 KEAP1 (0.61) KEAP1NFE2L2CHRM3CHRM2CHRM4
SCHEMBL4203592 0.72 KEAP1 (0.61) KEAP1NFE2L2CHRM3CHRM2CHRM4
SCHEMBL9960826 0.71 LTB4R (0.36)
SCHEMBL9960749 0.70 KCNN4 (0.36) KEAP1NFE2L2MEN1KMT2A
SCHEMBL14587261 0.69 KEAP1 (0.56) KEAP1NFE2L2CHRM3CHRM2CHRM4

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-9388124-B2 Ingenol-3-acylates I LEO LABORATORIES LIMITED (IE) 2016-07-12 US claimed
US-20130324600-A1 INGENOL-3-ACYLATES I LEO LABORATORIES LIMITED (IE) 2013-12-05 US claimed
EP-2655311-A1 INGENOL-3-ACYLATES I LEO LABORATORIES LIMITED (IE) 2013-10-30 EP claimed
WO-2012085189-A1 INGENOL-3-ACYLATES I LEO PHARMA A/S (DK) 2012-06-28 WO claimed
US-9388124-B2 Ingenol-3-acylates I LEO LABORATORIES LIMITED (IE) 2016-07-12 US disclosed
US-20130324600-A1 INGENOL-3-ACYLATES I LEO LABORATORIES LIMITED (IE) 2013-12-05 US disclosed
EP-2655311-A1 INGENOL-3-ACYLATES I LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012085189-A1 INGENOL-3-ACYLATES I 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-20130324600-A1 INGENOL-3-ACYLATES I CXCL8, MMP8, CASP8 KEAP1 634/4885NFE2L2 158/4885CHRM3 950/4885

“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.