SCHEMBL814842

SCHEMBL814842

CC(C)CCCc1cc[c]cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
LMNA P02545 2/20 0.37
PKM P14618 1/20 0.37
FUT7 Q11130 1/20 0.33
AOC3 Q16853 1/20 0.32
HPGD P15428 2/20 0.32
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL814782 0.94 FUT7 (0.38) GRIN2DGRIN2AGRIN2BGRIN2CLMNA
SCHEMBL941931 0.92 FUT7 (0.41) GRIN2DGRIN2AGRIN2BGRIN2CLMNA
SCHEMBL11116545 0.92 FUT7 (0.41) GRIN2DGRIN2AGRIN2BGRIN2CLMNA
SCHEMBL5204239 0.92 FUT7 (0.41) GRIN2DGRIN2AGRIN2BGRIN2CLMNA
SCHEMBL941936 0.92 FUT7 (0.41) GRIN2DGRIN2AGRIN2BGRIN2CLMNA
SCHEMBL1455235 0.92 FUT7 (0.41) GRIN2DGRIN2AGRIN2BGRIN2CLMNA
Hydrogen Sulfide SCHEMBL28015420 0.88 FUT7 (0.39) GRIN2DGRIN2AGRIN2BGRIN2CLMNA
SCHEMBL24072 0.86 AOC3 (0.34) LMNAPKMAOC3HPGDALDH1A1
SCHEMBL28529484 0.84 AOC3 (0.33) LMNAPKMAOC3HPGDSIGMAR1
SCHEMBL348349 0.84 LMNA (0.46) GRIN2DGRIN2AGRIN2BGRIN2CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250200-A1 IMPROVED CATALYSTS FOR INTERMOLECULAR CYCLOADDITION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2023-08-10 US claimed
WO-2021126692-A1 IRON BIS(IMINO) ARYL CATALYSTS AND METHODS THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2021-06-24 WO claimed
US-20210179650-A1 Iron Bis(Imino) Aryl Catalysts and Methods Thereof EXXONMOBIL CHEMICAL PATENTS INC (US) 2021-06-17 US claimed
CN-106232120-B Process for preparing N-benzyl-3-hydroxy-4-substituted-pyridin-2- (1H) -ones 爱尔皮奥治疗有限公司 2021-01-08 CN claimed
US-9464145-B2 Metallocenes and catalyst compositions derived therefrom EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-10-11 US claimed
US-9388135-B2 Process for preparing N-benzyl-3-hydroxy-4-substituted-pyridin-2-(1H)-ones AERPIO THERAPEUTICS, INC. (US) 2016-07-12 US claimed
US-20150232425-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES AERPIO THERAPEUTICS, INC. 2015-08-20 US claimed
US-20140309340-A1 Mixtures Of Dialkylphosphinic Acids And Alkylphosphinic Acids, A Process For Preparation Thereof And Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2014-10-16 US claimed
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US claimed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP claimed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US claimed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP claimed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO claimed
US-6451938-B1 CATALYTIC COMPLEX FORMED BY ACTIVATING TRANSITION METAL COMPOUNDS COMPRISING CYCLOPENTADIENIDE ANIONS WHICH BEAR FUSED HETEROCYCLIC RINGS EXXON MOBIL CHEMICAL PATENTS INC. 2002-09-17 US claimed
CN-1262676-A Pyridine derivatives NOVARTIS AG (CH) 2000-08-09 CN claimed
EP-0998459-A2 PYRIDINE DERIVATIVES Novartis AG (CH) 2000-05-10 EP claimed
WO-1999002497-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 1999-01-21 WO claimed
EP-0248404-A2 Ethylene copolymers with enhanced fire resistant properties E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-12-09 EP claimed
CN-118302407-A Carbonyl compound, method for producing isocyanate compound, and isocyanate composition 旭化成株式会社 2024-07-05 CN disclosed
US-4107143-A HYDROXYBENZOIC ACID UNITS, HYDROQUINONE UNITS TEIJIN LIMITED (JP) 1978-08-15 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-20210179650-A1 Iron Bis(Imino) Aryl Catalysts and Methods Thereof IDO2, SLC40A1, IDO1 GRIN2D 2591/4885GRIN2A 3397/4885GRIN2B 3789/4885
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 GRIN2D 1282/4885GRIN2A 1259/4885GRIN2B 763/4885
US-20150232425-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES CYP4B1, CYP8B1, HPD GRIN2D 1169/4885GRIN2A 1302/4885GRIN2B 1051/4885

“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.