SCHEMBL3974638

SCHEMBL3974638

CC(C)(Br)C(=O)c1ccc(CCBr)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
THRB P10828 3/20 0.42
THRA P10827 2/20 0.42
TDP1 Q9NUW8 1/20 0.40
PLK1 P53350 2/20 0.38
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
ESRRG P62508 3/20 0.37
ESRRB O95718 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RARB P10826 1/20 0.36
CYP4A11 Q02928 1/20 0.36
MLYCD O95822 1/20 0.36

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
SCHEMBL3976669 0.87 KMT2A (0.47) KMT2AMEN1THRBTHRATDP1
SCHEMBL3671949 0.84 CES2 (0.52) KMT2ATHRBTHRAPLK1CES2
SCHEMBL29904486 0.83 THRB (0.40) KMT2ATHRBTHRAPLK1POLB
SCHEMBL4418249 0.82 KMT2A (0.56) KMT2ATHRBTHRAPLK1
SCHEMBL6687329 0.80 ALDH1A1 (0.57) TDP1PLK1POLB
SCHEMBL7495525 0.78 IDO1 (0.41) KMT2ATHRBTHRAPLK1CES2
SCHEMBL253937 0.78 KMT2A (0.61) KMT2AMEN1THRBTHRATDP1
SCHEMBL13176021 0.78 RARB (0.66) KMT2AMEN1THRBTHRAPLK1
SCHEMBL11612824 0.77 TDP1 (0.48) KMT2AMEN1THRBTHRATDP1
SCHEMBL27961330 0.77 TDP1 (0.48) KMT2AMEN1THRBTHRATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024272-A Process for producing 2-methyl-2-phenylpropionic acid derivative 住友化学株式会社 2023-11-10 CN disclosed
US-8367743-B2 Adhesion promoting photoinitiators for UV cured coatings over metal surfaces BASF SE (DE) 2013-02-05 US disclosed
US-20090104464-A1 Adhesion promoting photoinitiators for UV cured coatings over metal surfaces IGM GROUP B.V. (NL) 2009-04-23 US disclosed
WO-2009050116-A2 ADHESION PROMOTING PHOTOINITIATORS FOR UV CURED COATINGS OVER METAL SURFACES BASF SE (DE) 2009-04-23 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-20090104464-A1 Adhesion promoting photoinitiators for UV cured coatings over metal surfaces CDH1, PCNA, VCAM1 KMT2A 343/4885MEN1 1093/4885THRB 3022/4885

“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.