SCHEMBL1044973

SCHEMBL1044973

[CH2]CCOc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
NOS1 P29475 4/20 0.49
MAOB P27338 5/20 0.49
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
ALDH1A1 P00352 1/20 0.46
AOC3 Q16853 1/20 0.45
PPARA Q07869 1/20 0.43
MRGPRX4 Q96LA9 1/20 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
SCHEMBL28989049 0.93 CHRNB2 (0.46) LTA4HNOS1MAOBCHRNB2CHRNB4
SCHEMBL1046760 0.90 NOS1 (0.50) LTA4HNOS1MAOBCHRNB2CHRNB4
SCHEMBL1047648 0.88 NOS1 (0.51) LTA4HNOS1MAOBCHRNB2CHRNB4
SCHEMBL8778626 0.86 NOS1 (0.52) LTA4HNOS1MAOBCHRNB2CHRNB4
SCHEMBL1046516 0.86 NOS1 (0.52) LTA4HNOS1MAOBCHRNB2CHRNB4
SCHEMBL28644836 0.83 LTA4H (0.50) LTA4HNOS1MAOBCHRNB2CHRNB4
SCHEMBL535429 0.83 MAOB (0.52) LTA4HNOS1MAOBALDH1A1AOC3
SCHEMBL10458622 0.81 MAOB (0.53) LTA4HNOS1MAOBCHRNB2CHRNB4
SCHEMBL5074587 0.79 LTA4H (0.50) LTA4HNOS1MAOBCHRNB2CHRNB4
SCHEMBL4332998 0.79 LTA4H (0.50) LTA4HNOS1MAOBCHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146996-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT AstraZeneca AB (SE) 2010-01-27 EP claimed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US claimed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 WO claimed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO claimed
EP-2594553-B1 ALKOXYIMINO DERIVATIVE AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2019-03-13 EP disclosed
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 US disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US disclosed
US-8895035-B2 Alkoxyimino derivative and pest control agent KUMIAI CHEMICAL INDUSTRY CO., LTD (JP) 2014-11-25 US disclosed
EP-2594553-A1 ALKOXYIMINO DERIVATIVE AND PEST CONTROL AGENT Kumiai Chemical Industry Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130102568-A1 ALKOXYIMINO DERIVATIVE AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. AND IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2013-04-25 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-5817826-A INHIBIT FORMATION OF PROSTAGLANDINS, LEUKOTRIENES; ANTIINFLAMMATION AGENTS SHIONOGI & CO., LTD. (JP) 1998-10-06 US disclosed
CN-1192200-A Phenylacetic acid derivatives, process and intermediates for their preparation, and their use as pest-killing compositions and fungicides BASF AG (DE) 1998-09-02 CN disclosed
CN-1166829-A Iminooxymethylene anilides, process and intermediate products for preparing the same and pesticides containing the same BASF AG (DE) 1997-12-03 CN disclosed
CN-1161687-A Phenylacetic acid alkyl esters BASF AG (DE) 1997-10-08 CN disclosed
WO-1997033874-A1 PYRIMIDYL PHENYL AND BENZYL ETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1997-09-18 WO disclosed
CN-1143361-A Phenylacetic acid derivatives, their preparation and intermediates, and compositions containing them BASF AG (DE) 1997-02-19 CN disclosed
CN-1115576-A Oxazolinone derivative having intracellular phospholipase A2 inhibitor activity SHIONOGI & CO (JP) 1996-01-24 CN disclosed
EP-0675114-A1 OXAZOLINONE DERIVATIVE HAVING INTRACELLULAR PHOSPHOLIPASE A 2? INHIBITOR ACTIVITY SHIONOGI & CO., LTD. (JP) 1995-10-04 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 (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-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 LTA4H 813/4885NOS1 295/4885MAOB 1633/4885
US-20130102568-A1 ALKOXYIMINO DERIVATIVE AND PEST CONTROL AGENT O60361, ALK, DDT LTA4H 2368/4885NOS1 1280/4885MAOB 1641/4885
US-20090023704-A1 Novel Compounds 737 GRPR, GABRB1, GABBR1 LTA4H 959/4885NOS1 2115/4885MAOB 623/4885

“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.