SCHEMBL54335

SCHEMBL54335

CCO/N=C(\C(N)=O)c1ccccc1COc1cc(C)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.40
HIF1A Q16665 2/20 0.39
TSHR P16473 1/20 0.39
TNF P01375 1/20 0.39
PKM P14618 1/20 0.39
CDK5 Q00535 1/20 0.39
KLF5 Q13887 1/20 0.39
CDK5R1 Q15078 1/20 0.39
NOD1 Q9Y239 1/20 0.39
POLB P06746 1/20 0.38
PARP1 P09874 1/20 0.38
AKR1C1 Q04828 1/20 0.38

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
SCHEMBL5360660 1.00 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL5190129 0.92 KMT2A (0.47) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL8619689 0.90 PTGDR2 (0.45) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL8619691 0.90 PTGDR2 (0.45) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL8622366 0.89 PTGDR2 (0.44) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL8622364 0.89 PTGDR2 (0.44) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL7541196 0.89 HIF1A (0.49) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL2839951 0.89 HIF1A (0.49) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL2839948 0.89 HIF1A (0.49) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL8519540 0.87 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0855859-B1 SYNERGISTIC FUNGICIDAL COMPOSITION INCLUDING A STROBILURIN ANALOGUE COMPOUND BAYER CROPSCIENCE SA (FR) 2003-03-12 EP claimed
US-20030027720-A1 Synergistic fungicidal composition comprising a compound analogous to strobilurin DUVERT PATRICE (FR) 2003-02-06 US claimed
EP-0946093-B1 FUNGICIDAL COMPOSITIONS BASED ON (N-PHENYLACETYL-N-2,6-XYLYL)METHYL ALANINATE ISAGRO SPA (IT) 2002-08-28 EP claimed
US-20010046978-A1 Synergistic fungicidal composition comprising a compound analogous to strobilurin DUVERT PATRICE (FR) 2001-11-29 US claimed
US-6228885-B1 Fungicidal compositions based on (N-phenylacetyl-N-2,6-XYLYL)methyl alaninate ISAGRO S.P.A. (IT) 2001-05-08 US claimed
US-6156740-A Synergistic fungicidal composition comprising a compound analogous to strobilurin RHONE-POULENC AGROCHIMIE (FR) 2000-12-05 US claimed
EP-2181593-B2 Use of specific alcohol alkoxylates as adjuvant for the agrotechnical sector BASF SE (DE) 2022-02-23 EP disclosed
EP-2181593-B1 Use of specific alcohol alkoxylates as adjuvant for the agrotechnical sector BASF SE (DE) 2016-08-24 EP disclosed
US-8877681-B2 Use of specific alcohol alkoxylates as an adjuvant for agrotechnical applications BASF SE (DE) 2014-11-04 US disclosed
US-8802120-B2 Bioactive agrichemical compositions and use thereof SCIESSENT LLC (US) 2014-08-12 US disclosed
US-20130012556-A1 Bioactive Agrichemical Compositions and Use Thereof SCIESSENT LLC (US) 2013-01-10 US disclosed
US-20120264607-A1 USE OF SPECIFIC ALCOHOL ALKOXYLATES AS AN ADJUVANT FOR AGROTECHNICAL APPLICATIONS BERGHAUS RAINER (DE) 2012-10-18 US disclosed
US-8287893-B2 Bioactive agrichemical compositions and use thereof SCIESSENT LLC (US) 2012-10-16 US disclosed
EP-0865432-A1 PHENYLACETIC ACID DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES AND/OR FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-09-23 EP 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
EP-0842144-A1 PHENYL ACETIC ACID DERIVATIVES, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE AS PARASITICIDES AND FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-05-20 EP 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
WO-1997024317-A1 IMINO OXYPHENYL ACETIC ACID DERIVATIVES, METHODS AND INTERMEDIATES FOR THEIR PREPARATION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1997-07-10 WO disclosed
WO-1997020816-A1 PHENYLACETIC ACID DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES AND/OR FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-06-12 WO disclosed
WO-1997005103-A1 PHENYL ACETIC ACID DERIVATIVES, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE AS PARASITICIDES AND FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-02-13 WO 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-20030027720-A1 Synergistic fungicidal composition comprising a compound analogous to strobilurin CYP51A1, PFN1, PIR ALDH1A1 1116/4885KMT2A 2546/4885MEN1 448/4885
US-20010046978-A1 Synergistic fungicidal composition comprising a compound analogous to strobilurin CHN2, CYTH2, CNPY3 ALDH1A1 2070/4885KMT2A 3497/4885MEN1 2391/4885
US-20120264607-A1 USE OF SPECIFIC ALCOHOL ALKOXYLATES AS AN ADJUVANT FOR AGROTECHNICAL APPLICATIONS ADH5, ALKBH3, ADH1C ALDH1A1 558/4885KMT2A 2925/4885MEN1 4485/4885

“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.