SCHEMBL6791580

SCHEMBL6791580

COC(C)OCOc1ccc2c(c1Br)CCCC2=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35
ADRB3 P13945 1/20 0.35
TSHR P16473 1/20 0.35
SLC6A4 P31645 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HSD17B1 P14061 1/20 0.34
LTB4R Q15722 3/20 0.33
LTB4R2 Q9NPC1 3/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
MAOA P21397 3/20 0.32
MAOB P27338 3/20 0.32
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL6791576 0.79 KDM4E (0.37) KDM4EALDH1A1HPGDADRB2ADRB1
SCHEMBL30558421 0.77 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B1
SCHEMBL3994779 0.77 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B1
SCHEMBL21715395 0.74 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B1
SCHEMBL8125887 0.72 MAOB (0.55) MAOAMAOB
SCHEMBL29660410 0.68 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B1
SCHEMBL3987174 0.68 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B1
SCHEMBL4119937 0.67 ALDH1A1 (0.60) KDM4EALDH1A1HPGDHSD17B1
SCHEMBL611321 0.67 ALDH1A1 (0.81) KDM4EALDH1A1HPGDHSD17B1
SCHEMBL8615195 0.66 MAOA (0.39) KDM4EALDH1A1HPGDHSD17B1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US disclosed
EP-0764159-B1 C -4 AMIDE SUBSTITUTED COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 2000-08-09 EP disclosed
US-5843989-A C4 -amide substituted compounds and their use as therapeutic agents SMITHKLINE BEECHAM P.L.C. (GB) 1998-12-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 KDM4E 2167/4885ALDH1A1 4449/4885HPGD 814/4885

“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.