SCHEMBL18397754

SCHEMBL18397754

CCOC(=O)c1cc(=O)c2cc(OC)c(O)cc2o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.63
MAOB P27338 2/20 0.58
SLC2A1 P11166 1/20 0.51
ACHE P22303 2/20 0.48
MAPK1 P28482 2/20 0.47
HSD17B2 P37059 1/20 0.47
CSNK2A2 P19784 2/20 0.46
CSNK2B P67870 2/20 0.46
CSNK2A1 P68400 2/20 0.46
DPP4 P27487 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 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
SCHEMBL30982120 0.83 AKR1B1 (0.64) AKR1B1MAOBSLC2A1MAPK1KDM4E
SCHEMBL1609206 0.83 ALDH1A1 (0.50) AKR1B1MAOBHSD17B2DPP4KDM4E
SCHEMBL29540566 0.81 AKR1B1 (0.68) AKR1B1MAOBSLC2A1MAPK1KDM4E
SCHEMBL22617153 0.81 AKR1B1 (0.68) AKR1B1MAOBSLC2A1MAPK1KDM4E
SCHEMBL13232070 0.80 DPP4 (0.49) AKR1B1MAOBHSD17B2DPP4KDM4E
SCHEMBL6329219 0.79 ACHE (0.58) AKR1B1MAOBSLC2A1ACHE
SCHEMBL16654521 0.79 TSHR (0.58) MAPK1ALDH1A1CYP2C19MEN1MAPT
SCHEMBL5272918 0.78 MAOB (0.70) AKR1B1MAOBSLC2A1ACHEKDM4E
SCHEMBL5322779 0.78 KDM4E (0.76) AKR1B1MAOBSLC2A1ACHEKDM4E
SCHEMBL29495537 0.77 AKR1B1 (1.00) AKR1B1MAOBSLC2A1MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180215727-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2018-08-02 US disclosed
US-20180215727-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2018-08-02 US disclosed
US-20180215727-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2018-08-02 US disclosed
EP-3325462-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF Pharmakea, Inc. (US) 2018-05-30 EP disclosed
WO-2017015221-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2017-01-26 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-20180215727-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX AKR1B1 1053/4885MAOB 62/4885SLC2A1 3820/4885

“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.