SCHEMBL1330000

SCHEMBL1330000

CCCCCCC#CCCCO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
LMNA P02545 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
TSHR P16473 2/20 0.60
HSD17B10 Q99714 1/20 0.60
PTPN7 P35236 5/20 0.56
HMGCR P04035 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
RECQL P46063 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
BLM P54132 1/20 0.47
MCL1 Q07820 1/20 0.47
SELP P16109 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
SCHEMBL25764481 1.00 ALDH1A1 (0.60) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL11829814 1.00 ALDH1A1 (0.60) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL25564483 1.00 ALDH1A1 (0.60) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL879891 0.97 SMN1; SMN2 (0.58) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL7121183 0.95 ALDH1A1 (0.68) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL11129684 0.95 ALDH1A1 (0.68) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL9155902 0.95 ALDH1A1 (0.68) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL8027862 0.95 ALDH1A1 (0.68) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL21411191 0.95 ALDH1A1 (0.68) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL8907002 0.95 ALDH1A1 (0.68) ALDH1A1LMNAMEN1KMT2ATSHR

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 18 patents. 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-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-20110281729-A1 SYNTHETIC COMPOUNDS USEFUL AS NODULATION AGENTS OF LEGUMINOUS PLANTS AND PREPARATION PROCESSES THEREOF BAYER SAS (FR) 2011-11-17 US disclosed
US-8013132-B2 Synthetic compounds useful as nodulation agents of leguminous plants and preparation processes thereof BAYER SAS (FR) 2011-09-06 US disclosed
EP-1701967-B1 SYNTHETIC COMPOUNDS USEFUL AS NODULATION AGENTS OF LEGUMINOUS PLANTS AND PREPARATION PROCESSES THEREOF BAYER SAS (FR) 2011-04-06 EP disclosed
US-20100160167-A1 Synthetic compounds useful as nodulation agents of leguminous plants and preparation processes thereof BAYER CROPSCIENCE S.A. (FR) 2010-06-24 US disclosed
US-20100113278-A1 PESTICIDAL COMPOSITION COMPRISING SYNTHETIC COMPOUND USEFUL AS NODULATION AGENT OF LEGUMINOUS PLANTS AND A FUNGICIDE COMPOUND BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-05-06 US disclosed
US-20100048404-A1 PESTICIDAL COMPOSITION COMPRISING A SYNTHETIC COMPOUND USEFUL AS NODULATION AGENT OF LEGUMINOUS PLANTS AND AN INSECTICIDE COMPOUND BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-02-25 US disclosed
US-7619076-B2 Nod factor type compounds; result in a large increase in the number of nitrogen-fixing root nodules; 2-acetamido-4-O-{2-acetamido-4-O-[2-acetamido-2-deoxy-4-O-(2-deoxy-2-(N-3-(undec-4Z-enyloxy)benzoyl)amino- beta -D-glucopyranosyl)- beta -D-glucopyranosyl]-2-deoxy- beta -D-glucopyranosyl}-2-deoxy-D-gluco BAYER CROPSCIENCE S.A. (FR) 2009-11-17 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
EP-2091327-A2 PESTICIDAL COMPOSITION COMPRISING A SYNTHETIC COMPOUND USEFUL AS NODULATION AGENT OF LEGUMINOUS PLANTS AND AN INSECTICIDE 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-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
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
US-3954851-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1976-05-04 US 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 (5 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-20100048404-A1 PESTICIDAL COMPOSITION COMPRISING A SYNTHETIC COMPOUND USEFUL AS NODULATION AGENT OF LEGUMINOUS PLANTS AND AN INSECTICIDE COMPOUND CYP51A1, DDT, ACHE ALDH1A1 3739/4885LMNA 2890/4885MEN1 462/4885
US-20070067921-A1 Synthetic compounds useful as nodulation agents of leguminous plants and preparation processes thereof LSS, BMP1, BMP4 ALDH1A1 4598/4885LMNA 2970/4885MEN1 905/4885
US-20100113278-A1 PESTICIDAL COMPOSITION COMPRISING SYNTHETIC COMPOUND USEFUL AS NODULATION AGENT OF LEGUMINOUS PLANTS AND A FUNGICIDE COMPOUND CYP51A1, LSS, DDT ALDH1A1 3974/4885LMNA 3356/4885MEN1 79/4885
US-20100160167-A1 Synthetic compounds useful as nodulation agents of leguminous plants and preparation processes thereof VEGFA, BMP1, VHL ALDH1A1 4334/4885LMNA 1571/4885MEN1 375/4885
US-20110281729-A1 SYNTHETIC COMPOUNDS USEFUL AS NODULATION AGENTS OF LEGUMINOUS PLANTS AND PREPARATION PROCESSES THEREOF LSS, BMP1, BMP4 ALDH1A1 4581/4885LMNA 2955/4885MEN1 913/4885

“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.