SCHEMBL5100729

SCHEMBL5100729

[c]1cc(-c2ccccc2)cc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.39
ALDH1A1 P00352 4/20 0.39
PTPN1 P18031 1/20 0.36
MEN1 O00255 1/20 0.35
APAF1 O14727 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
XBP1 P17861 1/20 0.35
PTBP1 P26599 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
GALK1 P51570 1/20 0.35
BLM P54132 1/20 0.35
SMAD3 P84022 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL27676264 0.77 HPRT1 (0.39) BACE1ALDH1A1PTPN1MEN1APAF1
SCHEMBL22689862 0.77 CYP2A6 (0.41) BACE1ALDH1A1PTPN1MEN1APAF1
SCHEMBL28043531 0.77 BACE1 (0.38) BACE1ALDH1A1PTPN1MEN1APAF1
SCHEMBL11233522 0.72 PDE4B (0.40) BACE1ALDH1A1MEN1NPC1MAPT
SCHEMBL3849720 0.72 ALDH1A1 (0.34) ALDH1A1MAPTRAB9ANPSR1L3MBTL1
SCHEMBL3843630 0.72 BACE1 (0.34) BACE1ALDH1A1PTPN1MEN1APAF1
SCHEMBL10324467 0.72 BACE1 (0.46) BACE1ALDH1A1PTPN1MEN1APAF1
SCHEMBL770088 0.70 LMNA (0.36) BACE1ALDH1A1MEN1NPC1LMNA
SCHEMBL4621655 0.70 ALDH1A1 (0.39) BACE1ALDH1A1PTPN1MEN1APAF1
SCHEMBL5581746 0.69 ALDH1A1 (0.50) ALDH1A1NPC1LMNAMAPTHTT

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
US-20120184693-A1 ETHYLENE POLYMER PREPARATION METHOD SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-19 US disclosed
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 1626/4885ALDH1A1 1403/4885PTPN1 3237/4885

“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.