SCHEMBL4584654

SCHEMBL4584654

CCCc1[c]c2cc3ccccc3cc2cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.37
CYP1A2 P05177 2/20 0.37
ATM Q13315 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 2/20 0.33
SLC6A4 P31645 2/20 0.33
DRD2 P14416 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HBB P68871 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
BCHE P06276 2/20 0.31
SIGMAR1 Q99720 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
SCHEMBL2254290 0.90 NPC1 (0.37) CYP2A6CYP1A2ATMMEN1KMT2A
SCHEMBL4584794 0.88 TLR8 (0.38) CYP2A6CYP1A2ATMMEN1KMT2A
SCHEMBL2256644 0.87 KCNH2 (0.39) ATMMEN1KMT2ARAB9ANPC1
SCHEMBL2252881 0.87 KCNH2 (0.39) ATMMEN1KMT2ARAB9ANPC1
SCHEMBL4585267 0.87 KCNH2 (0.39) ATMMEN1KMT2ARAB9ANPC1
SCHEMBL6439117 0.87 KCNH2 (0.39) ATMMEN1KMT2ARAB9ANPC1
SCHEMBL4584285 0.87 KCNH2 (0.39) ATMMEN1KMT2ARAB9ANPC1
SCHEMBL4585268 0.87 KCNH2 (0.39) ATMMEN1KMT2ARAB9ANPC1
SCHEMBL4585792 0.87 KCNH2 (0.39) ATMMEN1KMT2ARAB9ANPC1
SCHEMBL718453 0.85 CYP2A6 (0.44) CYP2A6CYP1A2ATMMEN1KMT2A

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334391-B2 Functionalized heteroacenes XEROX CORPORATION (US) 2012-12-18 US claimed
US-7372071-B2 Functionalized heteroacenes and electronic devices generated therefrom XEROX CORPORATION (US) 2008-05-13 US claimed
US-20070260069-A1 Functionalized heteroacenes XEROX CORPORATION 2007-11-08 US claimed
US-20070235721-A1 Functionalized heteroacenes and electronic devices generated therefrom XEROX CORPORATION 2007-10-11 US claimed
US-RE31300-E Process for preparing alkyl- or arylphosphonothioic dihalides STAUFFER CHEMICAL COMPANY (US) 1983-07-05 US claimed
US-4130583-A AUTOGENOUS PRESSURE STAUFFER CHEMICAL COMPANY (US) 1978-12-19 US claimed
US-4052463-A PROCESS FOR PREPARING TERTIARY PHOSPHINE SULFIDES AND OXIDES STAUFFER CHEMICAL COMPANY (US) 1977-10-04 US claimed
US-4000190-A FROM DIALKYL OR DIARYL DISULFIDES, PHOSPHORUS, AND PHOSPHORUS TRIHALIDE STAUFFER CHEMICAL COMPANY (US) 1976-12-28 US claimed
US-3968156-A Process for preparing alkyl-or arylphosphonothioic dihalides STAUFFER CHEMICAL COMPANY (US) 1976-07-06 US claimed
US-3962323-A PHOSPHORUS TRIHALIDE STAUFFER CHEMICAL COMPANY (US) 1976-06-08 US claimed
US-20220069354-A1 SULFUR-BASED ELECTROLYTE SOLUTION FOR MAGNESIUM CELL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2022-03-03 US disclosed
EP-3904337-A1 SULFUR-BASED ELECTROLYTE SOLUTION FOR MAGNESIUM CELL FUJIFILM Wako Pure Chemical Corporation (JP) 2021-11-03 EP disclosed
EP-3439097-B1 ELECTROLYTE SOLUTION CONTAINING MAGNESIUM IONS FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2020-12-30 EP disclosed
US-10727534-B2 Electrolyte solution containing magnesium ions FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2020-07-28 US disclosed
WO-2020138377-A1 SULFUR-BASED ELECTROLYTE SOLUTION FOR MAGNESIUM CELL 富士フイルム和光純薬株式会社 2020-07-02 WO disclosed
US-4076746-A FROM AN ALKYL OR ARYL HALIDE AND PHOSPHORUS SESQUISULFIDE STAUFFER CHEMICAL COMPANY (US) 1978-02-28 US disclosed
US-4052463-A PROCESS FOR PREPARING TERTIARY PHOSPHINE SULFIDES AND OXIDES STAUFFER CHEMICAL COMPANY (US) 1977-10-04 US disclosed
US-4000190-A FROM DIALKYL OR DIARYL DISULFIDES, PHOSPHORUS, AND PHOSPHORUS TRIHALIDE STAUFFER CHEMICAL COMPANY (US) 1976-12-28 US disclosed
US-3968156-A Process for preparing alkyl-or arylphosphonothioic dihalides STAUFFER CHEMICAL COMPANY (US) 1976-07-06 US disclosed
US-3962323-A PHOSPHORUS TRIHALIDE STAUFFER CHEMICAL COMPANY (US) 1976-06-08 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 (3 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-10727534-B2 Electrolyte solution containing magnesium ions MLX, PRDX1, PRDX6 CYP2A6 389/4885CYP1A2 815/4885ATM 3775/4885
US-20070260069-A1 Functionalized heteroacenes SOD1, AHR, NR0B2 CYP2A6 2722/4885CYP1A2 703/4885ATM 3265/4885
US-20220069354-A1 SULFUR-BASED ELECTROLYTE SOLUTION FOR MAGNESIUM CELL SLC26A3, PRDX4, PRDX2 CYP2A6 1852/4885CYP1A2 3884/4885ATM 4487/4885

“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.