SCHEMBL9960675

SCHEMBL9960675

CN(C(=O)C(=O)OC1=CC(O)c2ccccc21)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL9960496 0.86 RAB9A (0.46) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL9960629 0.77 RAB9A (0.42) RAB9ANPC1KMT2AALDH1A1LMNA
SCHEMBL9960717 0.77 RAB9A (0.36) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL9960807 0.77 LMNA (0.47) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL27926816 0.76 POLB (0.39) SMN1; SMN2KMT2AMEN1NPSR1KDM4E
SCHEMBL28806370 0.76 ELANE (0.41) SMN1; SMN2KMT2AMEN1NPSR1KDM4E
SCHEMBL9960746 0.75 ALDH1A1 (0.45) SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL28161568 0.75 POLB (0.38) ALDH1A1LMNAPOLB
SCHEMBL27926861 0.75 POLB (0.38) ALDH1A1LMNAPOLB
SCHEMBL9960651 0.75 HSD17B1 (0.41) RAB9ASMN1; SMN2NPC1KMT2AMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RAB9A 1139/4885SMN1; SMN2 4085/4885NPC1 600/4885

“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.