SCHEMBL5100877

SCHEMBL5100877

[c]1cc(-c2ccccc2)c(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.41
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 6/20 0.35
HPGD P15428 3/20 0.34
MAPK1 P28482 3/20 0.34
HSD17B10 Q99714 2/20 0.34
BCL2L1 Q07817 1/20 0.34
CYP2A6 P11509 1/20 0.34
TDO2 P48775 2/20 0.34
PTGS2 P35354 1/20 0.32
SMARCA2 P51531 1/20 0.32
SMARCA4 P51532 1/20 0.32
PBRM1 Q86U86 1/20 0.32
ESR2 Q92731 1/20 0.32
TOP1 P11387 1/20 0.32
KDM4E B2RXH2 3/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
MPI P34949 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL14829979 0.78 BACE1 (0.34) BACE1ALOX5ALDH1A1MAPK1PTGS2
SCHEMBL22091521 0.75 ALOX5 (0.51) ALOX5MAPT
SCHEMBL5047733 0.75 ALDH1A1 (0.47) BACE1ALDH1A1HPGDMAPK1HSD17B10
SCHEMBL2257365 0.73 ALDH1A1 (0.35) ALDH1A1HPGDHSD17B10PTGS2ESR2
SCHEMBL28771859 0.71 CRHBP (0.39) BACE1ALDH1A1MAPK1TDP1
SCHEMBL20553969 0.71 SQOR (0.42) BACE1ALDH1A1MAPTMEN1KMT2A
SCHEMBL4082425 0.71 BACE1 (0.61) BACE1ALOX5ALDH1A1HPGDMAPK1
SCHEMBL7754420 0.70 BACE1 (0.38) BACE1ALOX5ALDH1A1HPGDMAPK1
SCHEMBL2254069 0.70 ALDH1A1 (0.35) ALDH1A1HPGDHSD17B10PTGS2ESR2
SCHEMBL18127640 0.70 ALDH1A1 (0.35) ALDH1A1HPGDHSD17B10PTGS2ESR2

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-7381746-B2 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-06-03 US disclosed
US-20060142388-A1 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-06-29 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-20060142388-A1 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid derivative GRIA3, GRIN3A, GRM3 BACE1 1626/4885ALOX5 961/4885ALDH1A1 1403/4885

“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.