SCHEMBL16633354

SCHEMBL16633354

OB(c1cc2ccccc2o1)c1cc2ccccc2o1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.77
MGLL Q99685 1/20 0.77
HSD17B10 Q99714 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
FLT3 P36888 1/20 0.48
RAB9A P51151 3/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
TYR P14679 1/20 0.47
DAO P14920 1/20 0.47
AKR1B1 P15121 1/20 0.47
HPGD P15428 1/20 0.47
CYP2A6 P11509 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
MAOB P27338 6/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43

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
SCHEMBL147973 0.87 KDM4E (1.00) KDM4EMGLLHSD17B10TDP1FLT3
Naphthalene SCHEMBL29205373 0.85 KDM4E (0.96) KDM4EMGLLHSD17B10TDP1FLT3
SCHEMBL10343480 0.83 KDM4E (0.71) KDM4EMGLLHSD17B10TDP1FLT3
SCHEMBL7742612 0.80 KDM4E (0.67) KDM4EMGLLHSD17B10TDP1FLT3
SCHEMBL14216537 0.79 KDM4E (0.65) KDM4EMGLLHSD17B10TDP1FLT3
SCHEMBL9946110 0.78 KDM4E (0.64) KDM4EMGLLHSD17B10TDP1FLT3
SCHEMBL22684755 0.77 KDM4E (0.79) KDM4EMGLLHSD17B10TDP1FLT3
SCHEMBL22684754 0.71 KDM4E (0.54) KDM4EMGLLHSD17B10TDP1FLT3
SCHEMBL8212792 0.71 TDP1 (0.68) KDM4EMGLLHSD17B10TDP1FLT3
SCHEMBL28212688 0.71 MGLL (0.71) KDM4EMGLLHSD17B10TDP1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2886548-A1 METHOD FOR PRODUCING BORINIC ACID DERIVATIVE, AND NOVEL BORINIC ACID DERIVATIVE Manac Inc. (JP) 2015-06-24 EP disclosed
US-20150105562-A1 METHOD FOR PREPARING BORINIC ACID DERIVATIVES AND NOVEL BORINIC ACID DERIVATIVES MANAC INC. (JP) 2015-04-16 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 (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-20150105562-A1 METHOD FOR PREPARING BORINIC ACID DERIVATIVES AND NOVEL BORINIC ACID DERIVATIVES ADORA2B, TPSAB1, ACVR2B KDM4E 3520/4885MGLL 3009/4885HSD17B10 879/4885

“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.