SCHEMBL2887568

SCHEMBL2887568

CCCCCCCCCCCOc1cccc(C(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.82
PLA2G4B P0C869 3/20 0.82
SMPD1 P17405 3/20 0.74
PLA2G2A P14555 1/20 0.73
NR1H4 Q96RI1 2/20 0.73
TP53 P04637 1/20 0.69
TSHR P16473 1/20 0.69
PTPN11 Q06124 1/20 0.67
THRA P10827 1/20 0.67
THRB P10828 1/20 0.67
RARB P10826 3/20 0.63

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
SCHEMBL31661137 1.00 KMT2A (0.82) KMT2APLA2G4BSMPD1PLA2G2ANR1H4
SCHEMBL4652291 1.00 KMT2A (0.82) KMT2APLA2G4BSMPD1PLA2G2ANR1H4
SCHEMBL8080220 1.00 KMT2A (0.82) KMT2APLA2G4BSMPD1PLA2G2ANR1H4
SCHEMBL15766225 1.00 KMT2A (0.82) KMT2APLA2G4BSMPD1PLA2G2ANR1H4
SCHEMBL7822821 1.00 KMT2A (0.82) KMT2APLA2G4BSMPD1PLA2G2ANR1H4
SCHEMBL8081150 1.00 KMT2A (0.82) KMT2APLA2G4BSMPD1PLA2G2ANR1H4
SCHEMBL7047692 1.00 KMT2A (0.82) KMT2APLA2G4BSMPD1PLA2G2ANR1H4
SCHEMBL8082044 1.00 KMT2A (0.82) KMT2APLA2G4BSMPD1PLA2G2ANR1H4
SCHEMBL8086388 1.00 KMT2A (0.82) KMT2APLA2G4BSMPD1PLA2G2ANR1H4
SCHEMBL29758526 1.00 KMT2A (0.82) KMT2APLA2G4BSMPD1PLA2G2ANR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877684-B2 Pesticidal composition comprising a synthetic compound useful as nodulation agent of leguminous plants and an insecticide compound BAYER CROPSCIENCE AG (DE) 2014-11-04 US disclosed
US-8877684-B2 Pesticidal composition comprising a synthetic compound useful as nodulation agent of leguminous plants and an insecticide compound BAYER CROPSCIENCE AG (DE) 2014-11-04 US disclosed
US-8877684-B2 Pesticidal composition comprising a synthetic compound useful as nodulation agent of leguminous plants and an insecticide compound BAYER CROPSCIENCE AG (DE) 2014-11-04 US disclosed
US-8440591-B2 Pesticidal composition comprising synthetic compound useful as nodulation agent of leguminous plants and a fungicide compound BAYER CROPSCIENCE AG (DE) 2013-05-14 US disclosed
US-8440591-B2 Pesticidal composition comprising synthetic compound useful as nodulation agent of leguminous plants and a fungicide compound BAYER CROPSCIENCE AG (DE) 2013-05-14 US disclosed
US-8440591-B2 Pesticidal composition comprising synthetic compound useful as nodulation agent of leguminous plants and a fungicide compound BAYER CROPSCIENCE AG (DE) 2013-05-14 US disclosed
US-8198420-B2 Synthetic compounds useful as nodulation agents of leguminous plants and preparation processes thereof BAYER SAS (FR) 2012-06-12 US disclosed
US-8198420-B2 Synthetic compounds useful as nodulation agents of leguminous plants and preparation processes thereof BAYER SAS (FR) 2012-06-12 US disclosed
US-8198420-B2 Synthetic compounds useful as nodulation agents of leguminous plants and preparation processes thereof BAYER SAS (FR) 2012-06-12 US disclosed
US-20110281729-A1 SYNTHETIC COMPOUNDS USEFUL AS NODULATION AGENTS OF LEGUMINOUS PLANTS AND PREPARATION PROCESSES THEREOF BAYER SAS (FR) 2011-11-17 US disclosed
EP-2091326-A2 PESTICIDAL COMPOSITION COMPRISING A SYNTHETIC COMPOUND USEFUL AS NODULATION AGENT OF LEGUMINOUS PLANTS AND A FUNGICIDE COMPOUND Bayer CropScience SA (FR) 2009-08-26 EP disclosed
WO-2008071674-A2 PESTICIDAL COMPOSITION COMPRISING A SYNTHETIC COMPOUND USEFUL AS NODULATION AGENT OF LEGUMINOUS PLANTS AND AN INSECTICIDE COMPOUND BAYER CROPSCIENCE SA (FR) 2008-06-19 WO disclosed
WO-2008071674-A2 PESTICIDAL COMPOSITION COMPRISING A SYNTHETIC COMPOUND USEFUL AS NODULATION AGENT OF LEGUMINOUS PLANTS AND AN INSECTICIDE COMPOUND BAYER CROPSCIENCE SA (FR) 2008-06-19 WO disclosed
WO-2008071672-A2 PESTICIDAL COMPOSITION COMPRISING A SYNTHETIC COMPOUND USEFUL AS NODULATION AGENT OF LEGUMINOUS PLANTS AND A FUNGICIDE COMPOUND BAYER CROPSCIENCE SA (FR) 2008-06-19 WO disclosed
WO-2008071672-A2 PESTICIDAL COMPOSITION COMPRISING A SYNTHETIC COMPOUND USEFUL AS NODULATION AGENT OF LEGUMINOUS PLANTS AND A FUNGICIDE COMPOUND BAYER CROPSCIENCE SA (FR) 2008-06-19 WO disclosed
US-20070067921-A1 Synthetic compounds useful as nodulation agents of leguminous plants and preparation processes thereof INSTITUT NATIONAL DE RECHERCHE POUR L'AGRICULTURE, L'ALIMENTATION ET L'ENVIRONNEMENT (FR) 2007-03-29 US disclosed
US-20070067921-A1 Synthetic compounds useful as nodulation agents of leguminous plants and preparation processes thereof INSTITUT NATIONAL DE RECHERCHE POUR L'AGRICULTURE, L'ALIMENTATION ET L'ENVIRONNEMENT (FR) 2007-03-29 US disclosed
US-20070067921-A1 Synthetic compounds useful as nodulation agents of leguminous plants and preparation processes thereof INSTITUT NATIONAL DE RECHERCHE POUR L'AGRICULTURE, L'ALIMENTATION ET L'ENVIRONNEMENT (FR) 2007-03-29 US disclosed
EP-1701967-A1 SYNTHETIC COMPOUNDS USEFUL AS NODULATION AGENTS OF LEGUMINOUS PLANTS AND PREPARATION PROCESSES THEREOF Bayer CropScience S.A. (FR) 2006-09-20 EP disclosed
WO-2005063784-A1 SYNTHETIC COMPOUNDS USEFUL AS NODULATION AGENTS OF LEGUMINOUS PLANTS AND PREPARATION PROCESSES THEREOF BAYER CROPSCIENCE SA (FR) 2005-07-14 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 (2 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-20070067921-A1 Synthetic compounds useful as nodulation agents of leguminous plants and preparation processes thereof LSS, BMP1, BMP4 KMT2A 4067/4885PLA2G4B 3716/4885SMPD1 1728/4885
US-20110281729-A1 SYNTHETIC COMPOUNDS USEFUL AS NODULATION AGENTS OF LEGUMINOUS PLANTS AND PREPARATION PROCESSES THEREOF LSS, BMP1, BMP4 KMT2A 4030/4885PLA2G4B 3746/4885SMPD1 1698/4885

“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.