SCHEMBL4772837

SCHEMBL4772837

Fc1ccc(C=CCCCBr)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.43
HSD11B1 P28845 1/20 0.39
APP P05067 1/20 0.38
PTGS1 P23219 1/20 0.38
FBP1 P09467 1/20 0.37
DRD2 P14416 2/20 0.37
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
TNFRSF1A P19438 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
SCHEMBL4772823 1.00 NFE2L2 (0.43) NFE2L2HSD11B1APPPTGS1FBP1
SCHEMBL2169600 0.88 NFE2L2 (0.46) NFE2L2HSD11B1APPPTGS1FBP1
SCHEMBL2169604 0.88 NFE2L2 (0.46) NFE2L2HSD11B1APPPTGS1FBP1
SCHEMBL1830641 0.80 HSD11B1 (0.44) NFE2L2HSD11B1APPPTGS1FBP1
SCHEMBL5728588 0.80 NFE2L2 (0.43) NFE2L2HSD11B1APPPTGS1FBP1
SCHEMBL15050816 0.80 NFE2L2 (0.47) NFE2L2HSD11B1APPPTGS1
SCHEMBL4774178 0.80 KCNH2 (0.46) NFE2L2PTGS1FBP1DRD2GRIK1
SCHEMBL4774169 0.80 KCNH2 (0.46) NFE2L2PTGS1FBP1DRD2GRIK1
SCHEMBL15050819 0.80 NFE2L2 (0.47) NFE2L2HSD11B1APPPTGS1
SCHEMBL4763785 0.79 SIGMAR1 (0.46)

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
EP-1400513-B1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND KOWA CO (JP) 2008-01-09 EP disclosed
EP-1400513-A1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6552188-B2 Inhibit cell adhesion and cell infiltration; useful treating asthma, allergies, rheumatic diseases, arteriosclerosis, and inflammation; 2-(3,4,5-trimethoxyphenyl),4-((4-substituted piperazin-1-yl)methyl)pyridine compounds KOWA CO., LTD. (JP) 2003-04-22 US disclosed
US-20030022887-A1 Unsymmetrical cyclic diamine compound KOWA CO., LTD. (JP) 2003-01-30 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-20030022887-A1 Unsymmetrical cyclic diamine compound H1-0, DDAH1, AOC1 NFE2L2 959/4885HSD11B1 522/4885APP 4052/4885

“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.