SCHEMBL9960629

SCHEMBL9960629

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
ACHE P22303 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PDK2 Q15119 1/20 0.39
NCEH1 Q6PIU2 6/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.36

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 0.85 RAB9A (0.46) RAB9AACHEKMT2AALDH1A1NPC1
SCHEMBL9960497 0.84 ACHE (0.36) ACHEKMT2AALDH1A1PDK2TSHR
SCHEMBL9960719 0.84 MEN1 (0.46) RAB9AKMT2AALDH1A1NPC1TSHR
SCHEMBL9960587 0.83 ACHE (0.40) ACHEALDH1A1PDK2NPC1TSHR
SCHEMBL9960699 0.82 LIPE (0.39) RAB9AKMT2AALDH1A1NPC1LMNA
SCHEMBL9960786 0.82 NPC1 (0.43) RAB9AACHEKMT2AALDH1A1NPC1
SCHEMBL9960558 0.82 ACHE (0.41) ACHEALDH1A1PDK2NPC1TSHR
SCHEMBL9960807 0.81 LMNA (0.47) RAB9AKMT2ANPC1LMNA
SCHEMBL19712384 0.81 DDB1 (0.36) KMT2AALDH1A1TSHRPOLB
SCHEMBL9960794 0.81 ACHE (0.43) ACHEALDH1A1NPC1TSHRLMNA

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 16 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 claimed
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2017-08-03 US claimed
US-9708286-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2017-07-18 US claimed
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2015-10-15 US claimed
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2014-10-09 US claimed
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP claimed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 WO claimed
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-20150133543-A1 TOPICAL GEL COMPOSITION COMPRISING AN INGENOL DERIVATIVE AND A SOLVENT MIXTURE LEO LABORATORIES LIMITED (IE) 2015-05-14 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 RAB9A 908/4885ACHE 2366/4885KMT2A 3459/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG RAB9A 908/4885ACHE 2366/4885KMT2A 3459/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG RAB9A 908/4885ACHE 2366/4885KMT2A 3459/4885

“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.