SCHEMBL3260596

SCHEMBL3260596

C=CN(CC(=O)O)OCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.41
BLM P54132 1/20 0.41
NAAA Q02083 1/20 0.39
HCAR2 Q8TDS4 2/20 0.39
TSHR P16473 7/20 0.38
HPGD P15428 1/20 0.38
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AKR1B1 P15121 1/20 0.36
PAM P19021 2/20 0.36
PPARG P37231 5/20 0.35
PPARD Q03181 5/20 0.35
PPARA Q07869 5/20 0.35
HDAC11 Q96DB2 4/20 0.35
GPR84 Q9NQS5 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TLR2 O60603 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
FABP4 P15090 2/20 0.35
PTPN1 P18031 2/20 0.35

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
SCHEMBL8735298 0.80 TDP1 (0.31) BLMTSHRALDH1A1TDP1ALOX15
SCHEMBL10171416 0.74 PLA2G2A (0.49) PLA2G2ABLMNAAAHCAR2TSHR
SCHEMBL345325 0.71 PLA2G2A (0.46) PLA2G2ABLMNAAAHCAR2TSHR
SCHEMBL165060 0.71
SCHEMBL4765473 0.71 TSHR (0.41) PLA2G2ABLMHCAR2TSHRHPGD
SCHEMBL30888739 0.69 ZDHHC20 (0.47) NAAAHCAR2TSHRHPGDALDH1A1
SCHEMBL7647191 0.69 AKR1B1 (0.40) TSHRAKR1B1PPARGPPARDPPARA
SCHEMBL8198217 0.69 GPR84 (0.48) PLA2G2ABLMTSHRAKR1B1PPARG
SCHEMBL8525433 0.69 GPR84 (0.48) PLA2G2ABLMTSHRAKR1B1PPARG
SCHEMBL1347487 0.69 HCAR2 (0.42) PLA2G2ANAAAHCAR2TSHRHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093536-A1 CONTROL OF GRASSY WEEDS WITH VINYLGLYCINES AND VINYLGLYCINE-PRODUCING ORGANISMS THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER 2010-04-15 US claimed
US-20100189798-A1 CONTROL OF ERWINIA AMYLOVORA WITH VINYLGLYCINES AND BACTERIA THAT PRODUCE VINYLGLYCINES THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF 2010-07-29 US disclosed
US-20100093536-A1 CONTROL OF GRASSY WEEDS WITH VINYLGLYCINES AND VINYLGLYCINE-PRODUCING ORGANISMS THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER 2010-04-15 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 (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-20100093536-A1 CONTROL OF GRASSY WEEDS WITH VINYLGLYCINES AND VINYLGLYCINE-PRODUCING ORGANISMS GLO1, AGXT, GMDS PLA2G2A 1432/4885BLM 1930/4885NAAA 225/4885
US-20100189798-A1 CONTROL OF ERWINIA AMYLOVORA WITH VINYLGLYCINES AND BACTERIA THAT PRODUCE VINYLGLYCINES GLO1, MGAM, AGL PLA2G2A 597/4885BLM 1359/4885NAAA 108/4885

“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.