SCHEMBL4608025

SCHEMBL4608025

ON=C1CCCC1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 1/20 0.53
IGF1R P08069 1/20 0.47
ALOX15 P16050 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HAO1 Q9UJM8 1/20 0.38
HPGD P15428 2/20 0.37
CHRNA7 P36544 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PDGFRA P16234 1/20 0.34
PRKACA P17612 1/20 0.34
KDR P35968 1/20 0.34
CDK8 P49336 1/20 0.34

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
SCHEMBL4608020 1.00 ALDH1A1 (0.53) ALDH1A1KDM4EIGF1RALOX15L3MBTL1
SCHEMBL1201854 0.94 ALDH1A1 (0.59) ALDH1A1KDM4EIGF1RALOX15L3MBTL1
SCHEMBL1201856 0.94 ALDH1A1 (0.59) ALDH1A1KDM4EIGF1RALOX15L3MBTL1
SCHEMBL15874872 0.94 ALDH1A1 (0.59) ALDH1A1KDM4EIGF1RALOX15L3MBTL1
Water SCHEMBL8222140 0.93 ALDH1A1 (0.58) ALDH1A1KDM4EIGF1RALOX15L3MBTL1
SCHEMBL29497171 0.93 ALDH1A1 (0.58) ALDH1A1KDM4EIGF1RALOX15L3MBTL1
SCHEMBL29497128 0.93 ALDH1A1 (0.58) ALDH1A1KDM4EIGF1RALOX15L3MBTL1
SCHEMBL16392349 0.88 ALDH1A1 (0.44) ALDH1A1KDM4EIGF1RALOX15L3MBTL1
Ether SCHEMBL8222137 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EIGF1RALOX15L3MBTL1
SCHEMBL4607214 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106431934-A Method for synthesizing S-shaped amino compound 陈永军 2017-02-22 CN claimed
CN-106431934-A Method for synthesizing S-shaped amino compound 陈永军 2017-02-22 CN disclosed
EP-1246797-B1 CYCLOPENTYL SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2008-07-23 EP disclosed
US-20040147612-A1 Sulfonamide derivatives DAVISON JOSHUA ZWICK (US) 2004-07-29 US disclosed
EP-1409452-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2004-04-21 EP disclosed
US-6639107-B1 Potentiating glutamate receptor function ELI LILLY AND COMPANY 2003-10-28 US disclosed
WO-2002098846-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-12-12 WO disclosed
EP-1246797-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-10-09 EP disclosed
WO-2001042203-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-14 WO disclosed
US-4350685-A ASTHMA TREATMENT SMITHKLINE CORPORATION (US) 1982-09-21 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-20040147612-A1 Sulfonamide derivatives GRIN1, GRIN2A, GRIA1 ALDH1A1 365/4885KDM4E 3086/4885IGF1R 2288/4885

“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.