SCHEMBL11486121

SCHEMBL11486121

O=C/C=C/c1ccc2c(c1)OCCO2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
RAB9A P51151 6/20 0.53
MAPT P10636 5/20 0.53
NPC1 O15118 4/20 0.53
HSD17B10 Q99714 2/20 0.52
ALDH1A1 P00352 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CXCL12 P48061 1/20 0.50
DYRK1A Q13627 1/20 0.49
DYRK2 Q92630 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
CYP3A4 P08684 1/20 0.49
ATM Q13315 1/20 0.49
HDAC6 Q9UBN7 1/20 0.48
XDH P47989 1/20 0.47
CNR2 P34972 1/20 0.47
GSK3B P49841 1/20 0.46
MTOR P42345 1/20 0.46

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
SCHEMBL11486125 1.00 KDM4E (0.60) KDM4ERAB9AMAPTNPC1HSD17B10
SCHEMBL30837170 1.00 KDM4E (0.60) KDM4ERAB9AMAPTNPC1HSD17B10
SCHEMBL28492629 0.93 KDM4E (0.57) KDM4ERAB9AMAPTNPC1HSD17B10
SCHEMBL30383299 0.93 KDM4E (0.53) KDM4ERAB9AMAPTNPC1HSD17B10
SCHEMBL11471038 0.89 HSD17B10 (0.67) KDM4ERAB9ANPC1HSD17B10ALDH1A1
SCHEMBL5685530 0.89 HSD17B10 (0.67) KDM4ERAB9ANPC1HSD17B10ALDH1A1
SCHEMBL2757691 0.89 HSD17B10 (0.67) KDM4ERAB9ANPC1HSD17B10ALDH1A1
SCHEMBL7638425 0.82 HSD17B10 (0.65) KDM4ERAB9ANPC1HSD17B10ALDH1A1
SCHEMBL28335947 0.82 HSD17B10 (0.65) KDM4ERAB9ANPC1HSD17B10ALDH1A1
SCHEMBL1761703 0.81 ALDH1A1 (0.55) KDM4ERAB9AMAPTNPC1HSD17B10

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-11485710-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-11-01 US disclosed
US-20210253532-A1 Heterocyclic Amides as Kinase Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-08-19 US disclosed
EP-3298002-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-12-16 EP disclosed
US-20200165205-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-05-28 US disclosed
US-10590085-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-17 US disclosed
US-10584108-B2 Therapeutic compounds and methods of use thereof KUALITY HERBCEUTICS LLC (US) 2020-03-10 US disclosed
US-20180134679-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF KUALITY HERBCEUTICS LLC (US) 2018-05-17 US disclosed
US-20180134665-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-05-17 US disclosed
US-20180134665-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-05-17 US disclosed
WO-2016185423-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-11-24 WO disclosed
WO-2016179587-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF KUALITY HERBCEUTICS LLC (US) 2016-11-10 WO disclosed
US-4239908-A N-aralkenyl-N'-cyano-N\"-(heterocyclylthioalkyl)-guanidines G.D. SEARLE & CO. (US) 1980-12-16 US 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 (7 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-10590085-B2 Heterocyclic amides as kinase inhibitors MAP3K19, MAP3K20, MAP3K1 KDM4E 649/4885RAB9A 1205/4885MAPT 3677/4885
US-20180134679-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NQO1, VHL, XIAP KDM4E 2216/4885RAB9A 3040/4885MAPT 3227/4885
US-20210253532-A1 Heterocyclic Amides as Kinase Inhibitors MAP3K19, MAP3K20, MAP3K1 KDM4E 629/4885RAB9A 1211/4885MAPT 3638/4885
US-11485710-B2 Heterocyclic amides as kinase inhibitors MAP3K19, MAP3K20, MAP3K1 KDM4E 629/4885RAB9A 1211/4885MAPT 3638/4885
US-10584108-B2 Therapeutic compounds and methods of use thereof NQO1, VHL, XIAP KDM4E 2216/4885RAB9A 3040/4885MAPT 3227/4885
US-20200165205-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS MAP3K19, MAP3K20, MAP3K1 KDM4E 629/4885RAB9A 1211/4885MAPT 3638/4885
US-20180134665-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS MAP3K19, MAP3K20, MAP3K1 KDM4E 649/4885RAB9A 1205/4885MAPT 3677/4885

“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.