SCHEMBL18359705

SCHEMBL18359705

CCCc1cc(CN(C)CC(=O)O)c(O)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
ALOX5 P09917 7/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
THRB P10828 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
HMGCR P04035 1/20 0.40
SLC10A2 Q12908 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 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
SCHEMBL18359689 0.90 ALOX5 (0.44) MAPTKDM4EGAAALOX5NFKB1
SCHEMBL18359690 0.88 HIF1A (0.46) MEN1KMT2ATDP1HIF1AALDH1A1
SCHEMBL20412721 0.82 ALOX5 (0.39) MAPTKDM4EGAAALOX5NFKB1
SCHEMBL18359717 0.81 HIF1A (0.43) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL29953199 0.78 MAPT (0.43) MAPTKDM4EGAAALOX5NFKB1
SCHEMBL5396027 0.77 PTGS2 (0.45) THRBBLMHIF1AALDH1A1PTGS2
SCHEMBL30906957 0.76 PTGS2 (0.44) THRBBLMHIF1AALDH1A1PTGS2
SCHEMBL30906958 0.76 PTGS2 (0.44) THRBBLMHIF1AALDH1A1PTGS2
SCHEMBL30906956 0.76 PTGS2 (0.44) THRBBLMHIF1AALDH1A1PTGS2
SCHEMBL5070398 0.76 HIF1A (0.48) MAPTMEN1KMT2ATDP1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10793482-B2 Compounds and compositions for delivery of nutrients and micronutrients to plants SPERO ENERGY, INC. (US) 2020-10-06 US disclosed
US-20180208514-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERY OF NUTRIENTS AND MICRONUTRIENTS TO PLANTS SPERO ENERGY, INC. 2018-07-26 US disclosed
US-20180208514-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERY OF NUTRIENTS AND MICRONUTRIENTS TO PLANTS SPERO ENERGY, INC. 2018-07-26 US disclosed
WO-2017004052-A2 COMPOUNDS AND COMPOSITIONS FOR DELIVERY OF NUTRIENTS AND MICRONUTRIENTS TO PLANTS SPERO ENERGY, INC. (US) 2017-01-05 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-10793482-B2 Compounds and compositions for delivery of nutrients and micronutrients to plants SLC19A1, SLC19A2, SLC39A3 MAPT 1708/4885KDM4E 2970/4885GAA 775/4885
US-20180208514-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERY OF NUTRIENTS AND MICRONUTRIENTS TO PLANTS SLC19A1, SLC19A2, SLC39A3 MAPT 1708/4885KDM4E 2970/4885GAA 775/4885

“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.