SCHEMBL4058018

SCHEMBL4058018

Cc1cccc(C)c1N(C(=O)c1ccco1)C(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
PLA2G1B P04054 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
S1PR4 O95977 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
PTPN1 P18031 2/20 0.40
POLB P06746 4/20 0.40
AGTR1 P30556 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
TP53 P04637 1/20 0.39
PKM P14618 2/20 0.39
BLM P54132 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PTPN7 P35236 1/20 0.39

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
SCHEMBL4058016 1.00 OPRM1 (0.46) OPRM1KMT2AMEN1PLA2G1BHTT
Furalaxyl SCHEMBL54624 0.85 MEN1 (0.60) OPRM1KMT2AMEN1PLA2G1BHTT
Furalaxyl SCHEMBL9661285 0.85 MEN1 (0.60) OPRM1KMT2AMEN1PLA2G1BHTT
Furalaxyl SCHEMBL22528 0.85 MEN1 (0.60) OPRM1KMT2AMEN1PLA2G1BHTT
Benalaxyl SCHEMBL4297556 0.79 KMT2A (0.56) OPRM1KMT2AMEN1PLA2G1BHTT
Benalaxyl SCHEMBL727907 0.79 KMT2A (0.56) OPRM1KMT2AMEN1PLA2G1BHTT
SCHEMBL18419940 0.79 KMT2A (0.45) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL7264107 0.79 KMT2A (0.45) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL11070570 0.79 OPRM1 (0.51) OPRM1S1PR4KDM4EATMPOLB
SCHEMBL11833603 0.77 S1PR4 (0.49) OPRM1KMT2AMEN1HTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006009967-A2 NOVEL ESTER AS USEFUL BROAD SPECTRUM FUNGICIDAL COMPOUNDS CORET JOEL MARCEL (US) 2006-01-26 WO claimed
US-20050282841-A1 Novel esters as useful broad spectrum fungicidal compounds CORET JOEL M 2005-12-22 US claimed
EP-0979034-B1 COMPOSITION FOR CONTROLLING HARMFUL BIO-ORGANISMS AND METHOD FOR CONTROLLING HARMFUL BIO-ORGANISMS USING THE SAME ISHIHARA SANGYO KAISHA (JP) 2003-02-26 EP claimed
EP-0337103-B1 BIOCIDAL COMPOSITION ISHIHARA SANGYO KAISHA, Ltd. (JP) 1993-02-10 EP claimed
JP-56079605-A None JP disclosed
JP-56079603-A None JP disclosed
EP-2109366-A2 PESTICIDAL MIXTURES BASF SE (DE) 2009-10-21 EP disclosed
WO-2008095913-A2 PESTICIDAL MIXTURES BASF SE (DE) 2008-08-14 WO disclosed
US-20060229209-A1 Copolymers based on n-vinylamide as adjuvants and agents for using in the agrotechnical field BASF AKTIENGESELLSCHAFT (DE) 2006-10-12 US disclosed
WO-2006009967-A2 NOVEL ESTER AS USEFUL BROAD SPECTRUM FUNGICIDAL COMPOUNDS CORET JOEL MARCEL (US) 2006-01-26 WO disclosed
US-20050282841-A1 Novel esters as useful broad spectrum fungicidal compounds CORET JOEL M 2005-12-22 US disclosed
EP-0669804-A1 SYNERGISTIC MICROBICIDAL COMPOSITIONS Novartis AG (CH) 1995-09-06 EP disclosed
EP-0219756-B1 Acrylic amides SHELL INT RESEARCH (NL) 1994-01-05 EP disclosed
EP-0472494-A2 Anti-pathogenic biocontrol agents, genes encoding antibiotics synthesis and the use of said antibiotics CIBA-GEIGY AG (CH) 1992-02-26 EP disclosed
US-4910200-A Agricultural fungicide CELAMERCK GMBH & CO. KG (DE) 1990-03-20 US disclosed
EP-0120321-B1 ACRYLIC-ACID AMIDES, THEIR PREPARATION AND USE Shell Agrar GmbH & Co. KG (DE) 1988-10-05 EP disclosed
US-4753934-A Acrylic acid heterocyclic amides, fungicidal compositions and use CELAMERCK GMBH & CO. KG (DE) 1988-06-28 US disclosed
JP-S5679605-A PREVENTING AGENT AGAINST DAMPING-OFF OF RICE PLANT SANKYO CO LTD 1981-06-30 JP disclosed
JP-S5679603-A PREVENTING AGENT AGAINST DAMPING-OFF OF RICE PLANT SANKYO CO LTD 1981-06-30 JP disclosed
JP-S05679605-A 0001-01-01 JP 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 (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-20060229209-A1 Copolymers based on n-vinylamide as adjuvants and agents for using in the agrotechnical field NAAA, ALOX5AP, ALOX5 OPRM1 4134/4885KMT2A 798/4885MEN1 4724/4885

“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.