SCHEMBL9956776

SCHEMBL9956776

COc1ccc2c(c1)c(C)c(C(=O)O)n2C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.52
HSD17B10 Q99714 4/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 6/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 2/20 0.48
NPC1 O15118 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ATM Q13315 1/20 0.46
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL2272636 0.88 KDM4E (0.49) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL9959992 0.87 MAPT (0.49) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL10971041 0.85 MAPT (0.54) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL25225487 0.81 KDM4E (0.50) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL4077706 0.81 MAPT (0.55) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL6456184 0.81 KDM4E (0.49) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL4364966 0.80 KDM4E (0.70) KDM4EHSD17B10MEN1KMT2APOLB
SCHEMBL2687074 0.79 PTGS2 (0.49) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL9146163 0.79 KDM4E (0.48) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL4364225 0.79 KDM4E (0.65) KDM4EHSD17B10KMT2A

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
EP-2655323-B1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LTD (IE) 2017-12-20 EP disclosed
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2017-08-03 US disclosed
US-9708286-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2017-07-18 US disclosed
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2015-10-15 US disclosed
US-9102687-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2015-08-11 US disclosed
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2014-10-09 US disclosed
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES 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 (3 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-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG KDM4E 2642/4885HSD17B10 1252/4885ALDH1A1 2810/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG KDM4E 2642/4885HSD17B10 1252/4885ALDH1A1 2810/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG KDM4E 2642/4885HSD17B10 1252/4885ALDH1A1 2810/4885

“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.