SCHEMBL3597062

SCHEMBL3597062

COC(=O)c1ccc(CCCBr)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
KDM4E B2RXH2 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 2/20 0.51
PKM P14618 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
THPO P40225 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
KMT2A Q03164 1/20 0.51
HIF1A Q16665 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PARP1 P09874 1/20 0.45

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
SCHEMBL28807057 0.91 MAPK1 (0.56) MAPK1KDM4EL3MBTL1MAPTPKM
SCHEMBL1093083 0.86 CYP4A11 (0.59) MAPK1KDM4EL3MBTL1MAPTPKM
SCHEMBL6724622 0.86 NFKB1 (0.69) MAPK1KDM4EL3MBTL1MAPTPKM
SCHEMBL22335925 0.85 CYP4A11 (0.60) MAPK1KDM4EL3MBTL1MAPTPKM
SCHEMBL31753771 0.85 CYP4A11 (0.60) MAPK1KDM4EL3MBTL1MAPTPKM
SCHEMBL1437036 0.84 MAPK1 (0.59) MAPK1KDM4EL3MBTL1MAPTPKM
SCHEMBL30346498 0.84 MAPK1 (0.59) MAPK1KDM4EL3MBTL1MAPTPKM
SCHEMBL20178613 0.84 MAPT (0.61) MAPK1KDM4EL3MBTL1MAPTPKM
SCHEMBL20178643 0.84 MAPT (0.61) MAPK1KDM4EL3MBTL1MAPTPKM
SCHEMBL20730099 0.84 CYP4A11 (0.59) MAPK1KDM4EL3MBTL1MAPTPKM

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
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 MAPK1 779/4885KDM4E 3663/4885L3MBTL1 1132/4885

“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.