SCHEMBL816441

SCHEMBL816441

[CH2]c1ccccc1OCCCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.60
CYP2C19 P33261 3/20 0.60
CYP2C9 P11712 2/20 0.60
LTA4H P09960 2/20 0.47
CYP19A1 P11511 1/20 0.46
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
NR1I2 O75469 1/20 0.45
LMNA P02545 1/20 0.45
CHRM2 P08172 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADRA2A P08913 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MCHR1 Q99705 1/20 0.44
TLR8 Q9NR97 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.43

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
SCHEMBL5417465 0.94 CYP2C9 (0.53) CYP1A2CYP2C19CYP2C9LTA4HCYP19A1
SCHEMBL7331060 0.92 MEN1 (0.54) CYP1A2CYP2C19CYP2C9LTA4HKMT2A
SCHEMBL10857424 0.92 MEN1 (0.54) CYP1A2CYP2C19CYP2C9LTA4HKMT2A
SCHEMBL20873606 0.92 MEN1 (0.54) CYP1A2CYP2C19CYP2C9LTA4HKMT2A
SCHEMBL8847317 0.92 MEN1 (0.54) CYP1A2CYP2C19CYP2C9LTA4HKMT2A
SCHEMBL41192 0.92 MEN1 (0.54) CYP1A2CYP2C19CYP2C9LTA4HKMT2A
SCHEMBL1272187 0.92 MEN1 (0.54) CYP1A2CYP2C19CYP2C9LTA4HKMT2A
SCHEMBL7283843 0.92 MEN1 (0.54) CYP1A2CYP2C19CYP2C9LTA4HKMT2A
SCHEMBL815746 0.89 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9KMT2AMAPT
SCHEMBL2489513 0.85 CYP1A2 (0.53) CYP1A2CYP2C19CYP2C9LTA4HCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514624-A N-monofluoromethyl carbonyl compound and preparation method thereof 中山大学附属第一医院 2023-08-01 CN 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
US-20050009912-A1 Prodrugs of excitatory amino acids ELI LILLY AND COMPANY 2005-01-13 US claimed
EP-1458671-A1 PRODRUGS OF EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2004-09-22 EP claimed
US-20040138304-A1 Prodrugs of excitatory amino acids ELI LILLY AND COMPANY 2004-07-15 US claimed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO claimed
WO-2003057661-A1 PRODRUGS OF EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2003-07-17 WO claimed
US-5885548-A Multiply substituted DTPA derivatives and their metal complexes, and their metal complexes, pharmaceutical agents that contain these complexes, their use in diagnosis and therapy, as well as process for the production of pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1999-03-23 US claimed
US-5853699-A Use of tetra azacycle complexes as x-ray diagnostic agents for the liver and gallbladder SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-29 US claimed
US-5746995-A DTPA derivatives substituted in a novel way, their metal complexes, and their use in diagnosis and therapy SCHERING AKTIENGESELLSCHAFT (DE) 1998-05-05 US claimed
EP-0752622-A1 Acetal polymers useful in photosensitive compositions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-01-08 EP claimed
US-5534381-A POLYMERS FOR LITHOGRAPHIC PRINTING PLATES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-07-09 US claimed
US-4591376-A PLANT GROWTH REGULATORS SCHERING AKTIENGESELLSCHAFT (DE) 1986-05-27 US claimed
EP-0126234-A2 1,2,3-Thiadiazol-3-in-5-ylidene ureas, their preparation and compositions as plant-growth regulators and defoliants SCHERING AKTIENGESELLSCHAFT (DE) 1984-11-28 EP claimed
US-11780841-B2 3,6-methano-1H-pyrrolo[3,2-b]pyridine and 3,6-methano-1H-pyrrolo[3,2-c]pyridine compounds and medicaments using same IRIMAJIRI THERAPEUTICS INC. (JP) 2023-10-10 US disclosed
EP-0015639-A2 Enantiomers of triazole compounds, a process for preparing them, their use as plant fungicides and growth regulating agents and compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-09-17 EP disclosed
EP-0002051-A1 Use of butoxybenzylhyoscyamine bromide in pharmaceutical compositions against deafness and tinnitus Eisai Co., Ltd. (JP) 1979-05-30 EP 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 (4 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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 CYP1A2 2390/4885CYP2C19 3676/4885CYP2C9 3617/4885
US-11780841-B2 3,6-methano-1H-pyrrolo[3,2-b]pyridine and 3,6-methano-1H-pyrrolo[3,2-c]pyridine compounds and medicaments using same AVPR1B, AVPR2, F12 CYP1A2 1194/4885CYP2C19 793/4885CYP2C9 847/4885
US-20050009912-A1 Prodrugs of excitatory amino acids SLC1A2, SLC1A3, SLC1A1 CYP1A2 239/4885CYP2C19 262/4885CYP2C9 562/4885
US-20040138304-A1 Prodrugs of excitatory amino acids SLC1A2, SLC1A1, SLC1A3 CYP1A2 753/4885CYP2C19 459/4885CYP2C9 813/4885

“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.