SCHEMBL167430

SCHEMBL167430

O=C(O)COC(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
ADRA1A P35348 2/20 0.46
HTR1A P08908 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1B P35368 1/20 0.46
SCN1A P35498 3/20 0.46
SCN2A Q99250 3/20 0.46
SCN3A Q9NY46 3/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 3/20 0.46
LMNA P02545 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
ADRA2A P08913 1/20 0.46
CHRM1 P11229 1/20 0.46
TSHR P16473 1/20 0.46
ADRA2B P18089 1/20 0.46

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
Hydrochloric Acid SCHEMBL8044031 0.98 LMNA (0.47) ALOX15ADRA1AHTR1AADRA1DADRA1B
Ammonia Solution, Strong SCHEMBL9292400 0.98 ALOX15 (0.47) ALOX15ADRA1AHTR1AADRA1DADRA1B
Propane SCHEMBL10335665 0.92 HTT (0.45) ALOX15ADRA1AHTR1AADRA1DADRA1B
Isopropylamine SCHEMBL10335663 0.91 SCN1A (0.43) ALOX15ADRA1AHTR1AADRA1DADRA1B
Butane SCHEMBL10334930 0.91 HTT (0.44) ALOX15ADRA1AHTR1AADRA1DADRA1B
Monoethanolamine SCHEMBL10334629 0.89 GABBR2 (0.43) ALOX15ADRA1AHTR1AADRA1DADRA1B
SCHEMBL9292651 0.89 MEN1 (0.50) ADRA1ASCN1ASCN2ASCN3ASLC6A4
Piperazine SCHEMBL10334733 0.89 SIGMAR1 (0.50) ALOX15ADRA1AHTR1AADRA1DADRA1B
SCHEMBL9291592 0.89 IDO1 (0.53) ADRA1AHTR1ASLC6A4SLC6A3LMNA
Tert-Butylamine SCHEMBL9292930 0.89 SCN1A (0.42) ALOX15ADRA1AHTR1AADRA1DADRA1B

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 1195 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099751-B1 BIPHENYL-SUBSTITUTED SPIROCYCLIC KETOENOLS BAYER IP GMBH (DE) 2018-05-30 EP claimed
US-20160000076-A1 Fungicidal Active Compound Combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-01-07 US claimed
EP-2185563-B1 OXASPIROCYCLIC SPIRO-SUBSTITUTED TETRAMIC AND TETRONIC ACID DERIVATIVES BAYER IP GMBH (DE) 2015-08-19 EP claimed
EP-1943218-B1 ALKOXYALKYL SPIROCYCLIC TETRAMIC ACIDS AND TETRONIC ACIDS BAYER IP GMBH (DE) 2015-05-06 EP claimed
US-8993782-B2 Cis-alkoxyspirocyclic biphenyl-substituted tetramic acid derivatives BAYER CROPSCIENCE AG (DE) 2015-03-31 US claimed
EP-2195290-B1 HALOGEN ALKOXY SPIROCYCLIC TETRAMIC AND TETRONIC ACID DERIVATIVES BAYER IP GMBH (DE) 2015-03-11 EP claimed
EP-1771067-B1 SELECTIVE INSECTICIDES BASED ON SUBSTITUTED, CYCLIC KETO-ENOLS AND SAFENERS BAYER CROPSCIENCE AG (DE) 2014-03-12 EP claimed
US-8629084-B2 Iodine-phenyl-substituted cyclic cetoenols BAYER CROPSCIENCE AG (DE) 2014-01-14 US claimed
EP-1855529-B1 SPIROKETAL-SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2013-12-18 EP claimed
EP-1966135-B1 3'-ALKOXY-SPIROCYCLOPENTYL-SUBSTITUTED TETRAMIC AND TETRONIC ACIDS BAYER CROPSCIENCE AG (DE) 2013-10-09 EP claimed
EP-0802732-A1 HERBICIDAL COMPOSITIONS OF 4-BENZOYLISOXAZOLE OR 2-CYANO-1,3-DIONE HERBICIDES AND ANTIDOTES THEREFOR ZENECA LIMITED (GB) 1997-10-29 EP claimed
WO-1996021357-A1 HERBICIDAL COMPOSITIONS OF 4-BENZOYLISOXAZOLE OR 2-CYANO-1,3-DIONE HERBICIDES AND ANTIDOTES THEREFOR ZENECA LIMITED (GB) 1996-07-18 WO claimed
EP-0565593-A1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO COMPANY (US) 1993-10-20 EP claimed
EP-0562015-A1 SAFENED HERBICIDAL SULFONAMIDE COMPOSITIONS MONSANTO COMPANY (US) 1993-09-29 EP claimed
US-5201933-A Haloacetamides MONSANTO COMPANY (US) 1993-04-13 US claimed
WO-1992011761-A1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO COMPANY (US) 1992-07-23 WO claimed
WO-1992010098-A1 SAFENED HERBICIDAL SULFONAMIDE COMPOSITIONS MONSANTO COMPANY (US) 1992-06-25 WO claimed
EP-0480902-A1 Safening herbicidal benzoic acid derivatives MONSANTO COMPANY (US) 1992-04-15 EP claimed
EP-0436483-A2 Safening imidazolinone herbicides MONSANTO COMPANY (US) 1991-07-10 EP claimed
EP-0354201-A2 Safening herbicidal benzoic acid derivatives MONSANTO COMPANY (US) 1990-02-07 EP claimed

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-20160000076-A1 Fungicidal Active Compound Combinations DDT, CYP4X1, CYP51A1 ALOX15 1677/4885ADRA1A 4331/4885HTR1A 3933/4885

“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.