SCHEMBL17050459

SCHEMBL17050459

COc1cccc(Oc2ccc(Br)cn2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.68
MEN1 O00255 1/20 0.68
ALDH1A1 P00352 1/20 0.68
BRCA1 P38398 1/20 0.68
HBB P68871 1/20 0.68
KMT2A Q03164 1/20 0.68
HSD17B10 Q99714 1/20 0.68
MAOB P27338 3/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
THRB P10828 1/20 0.43
MAPT P10636 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 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
SCHEMBL17050462 0.84 KDM4E (0.48) KDM4EMEN1ALDH1A1BRCA1HBB
SCHEMBL29693773 0.83 RAB9A (0.47) KDM4EMEN1ALDH1A1BRCA1HBB
SCHEMBL16838789 0.83 RAB9A (0.47) KDM4EMEN1ALDH1A1BRCA1HBB
SCHEMBL20197023 0.82 KDM4E (0.69) KDM4EMEN1ALDH1A1BRCA1HBB
SCHEMBL17050465 0.81 KMT2A (0.46) KDM4EMEN1ALDH1A1BRCA1HBB
SCHEMBL25294746 0.81 CYP1A2 (0.54) KDM4EMEN1ALDH1A1BRCA1HBB
SCHEMBL29479474 0.81 CYP1A2 (0.54) KDM4EMEN1ALDH1A1BRCA1HBB
SCHEMBL510942 0.81 MAP4K4 (0.47) KDM4EMEN1ALDH1A1BRCA1HBB
SCHEMBL22405016 0.80 RAB9A (0.51) KDM4EMEN1ALDH1A1BRCA1HBB
SCHEMBL510254 0.79 LTA4H (0.49) KDM4EMEN1ALDH1A1BRCA1HBB

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
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 US disclosed
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 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-20150246938-A1 NOVEL OLEFIN DERIVATIVE ACSS2, ACACB, ACAT2 KDM4E 2675/4885MEN1 3985/4885ALDH1A1 408/4885

“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.