SCHEMBL4072061

SCHEMBL4072061

O=S(=O)(O)CCC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
ATM Q13315 1/20 0.37
HPGD P15428 1/20 0.36
PTGS1 P23219 1/20 0.36
PDE4A P27815 1/20 0.36
LMNA P02545 1/20 0.36
SLC6A6 P31641 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
CYP1A2 P05177 1/20 0.36
METAP1 P53582 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
INPP5A Q14642 1/20 0.34
EPHX1 P07099 1/20 0.34
ACLY P53396 1/20 0.34
APP P05067 1/20 0.33

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
SCHEMBL2518041 0.98 HPGD (0.39) ALDH1A1ATMHPGDPTGS1PDE4A
SCHEMBL2492273 0.98 HPGD (0.39) ALDH1A1ATMHPGDPTGS1PDE4A
SCHEMBL6584519 0.98 ALDH1A1 (0.36) ALDH1A1ATMHPGDPTGS1PDE4A
SCHEMBL9320849 0.95 PTGS1 (0.36) ALDH1A1ATMHPGDPTGS1PDE4A
SCHEMBL8078390 0.90
SCHEMBL6114858 0.86 CYP1A2 (0.43) ALDH1A1ATMHPGDCYP1A2SIGMAR1
SCHEMBL4896518 0.84 CYP1A2 (0.46) HPGDCYP1A2METAP1SIGMAR1EPHX1
SCHEMBL355314 0.82 SIGMAR1 (0.47) CYP1A2SIGMAR1EPHX1APP
Ammonia Solution, Strong SCHEMBL8491678 0.82 CYP1A2 (0.45) HPGDCYP1A2METAP1SIGMAR1EPHX1
SCHEMBL8322595 0.82 SIGMAR1 (0.47) CYP1A2SIGMAR1EPHX1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110511219-B Phenyl-substituted dihydronaphthyridine compound and application thereof 年衍药业(珠海)有限公司 2022-06-03 CN disclosed
EP-3063231-A1 ACID DYES, PROCESS FOR THE PRODUCTION THEREOF AND THEIR USE DyStar Colours Distribution GmbH (DE) 2016-09-07 EP disclosed
WO-2015062939-A1 ACID DYES, PROCESS FOR THE PRODUCTION THEREOF AND THEIR USE DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2015-05-07 WO disclosed
EP-2024361-A1 3-TETRAZOLYL INDAZOLES, 3-TETRAZOLYL PYRAZOLOPYRIDINES, AND USE THEREOF Bayer HealthCare AG (DE) 2009-02-18 EP disclosed
US-7452908-B2 Amide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-11-18 US disclosed
WO-2007128454-A1 3-TETRAZOLYL INDAZOLES, 3-TETRAZOLYL PYRAZOLOPYRIDINES, AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-11-15 WO disclosed
US-6809108-B1 SELECTIVE MUSCARINIC M3 RECEPTOR ANTAGONTS; REDUCED SIDE EFFECTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-10-26 US disclosed
US-20040204369-A1 Novel amide derivatives MSD K.K. (JP) 2004-10-14 US disclosed
EP-1213281-B1 NOVEL AMIDE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-02-18 EP disclosed
EP-1213281-A1 NOVEL AMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-06-12 EP disclosed
US-5308830-A Low dosage; nonphytotoxic to crops; pre- and postemergence ROHM AND HAAS COMPANY (US) 1994-05-03 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-20040204369-A1 Novel amide derivatives CHRM3, CHRM1, CHRM2 ALDH1A1 1744/4885ATM 1425/4885HPGD 2567/4885

“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.