SCHEMBL9959346

SCHEMBL9959346

NC(=O)C1=CC(O)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.37
HSD17B10 Q99714 2/20 0.37
HTR2B P41595 5/20 0.36
HTR7 P34969 4/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 2/20 0.35
CYP3A4 P08684 1/20 0.35
PARP1 P09874 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL27945139 0.78 ALDH1A1 (0.39) HSD17B10HDAC3HDAC4HDAC7HDAC8
SCHEMBL4927480 0.77 EDNRA (0.35) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL9960737 0.74 POLB (0.38) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL27943452 0.71 MMP9 (0.41) MEN1KMT2AMAPTL3MBTL1
SCHEMBL9960790 0.71 POLB (0.38) MEN1KMT2APOLBMAPTRECQL
SCHEMBL27885053 0.67 HDAC3 (0.32) HSD17B10HDAC3HDAC4HDAC7HDAC8
SCHEMBL9960625 0.67 MAPT (0.39) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL2530115 0.67 AKR1B1 (0.41) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL9960629 0.66 RAB9A (0.42) KMT2APOLBTSHR
SCHEMBL4911340 0.65 HCAR2 (0.44) HDAC3HDAC4HDAC7HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10583140-B2 Ingenol analogs, pharmaceutical compositions and methods of use thereof GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-10 US disclosed
US-20190030029-A1 INGENOL ANALOGS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-31 US disclosed
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
WO-2017130156-A1 INGENOL ANALOGS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-08-03 WO disclosed
US-9708286-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2017-07-18 US disclosed
CN-104529827-B Ingenol-3-acylate III and ingenol-3-carbamate 利奥实验室有限公司 2016-08-24 CN 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 (5 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 BCAT2 4758/4885HSD17B10 1252/4885HTR2B 4511/4885
US-20190030029-A1 INGENOL ANALOGS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF ERG28, PTH1R, CCR5 BCAT2 3676/4885HSD17B10 806/4885HTR2B 4274/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG BCAT2 4758/4885HSD17B10 1252/4885HTR2B 4511/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG BCAT2 4758/4885HSD17B10 1252/4885HTR2B 4511/4885
US-10583140-B2 Ingenol analogs, pharmaceutical compositions and methods of use thereof ERG28, PTH1R, CCR5 BCAT2 3676/4885HSD17B10 806/4885HTR2B 4274/4885

“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.