SCHEMBL18359690

SCHEMBL18359690

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.46
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
VEGFA P15692 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
ALOX15 P16050 2/20 0.37
CYP2C9 P11712 1/20 0.37
GRIA1 P42261 3/20 0.35
GRIA2 P42262 3/20 0.35
GRIA3 P42263 3/20 0.35
GRIA4 P48058 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN11 Q06124 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL5396027 0.88 PTGS2 (0.45) HIF1AALDH1A1GPR84
SCHEMBL18359705 0.88 MAPT (0.44) HIF1AALDH1A1L3MBTL1TDP1MEN1
SCHEMBL30906958 0.87 PTGS2 (0.44) HIF1AALDH1A1GPR84
SCHEMBL30906956 0.87 PTGS2 (0.44) HIF1AALDH1A1GPR84
SCHEMBL30906957 0.87 PTGS2 (0.44) HIF1AALDH1A1GPR84
SCHEMBL18359691 0.87 ALDH1A1 (0.41) HIF1AALDH1A1HSD17B10CYP2C19ALOX15
SCHEMBL5070398 0.87 HIF1A (0.48) HIF1AALDH1A1HSD17B10CYP2C19CYP1A2
SCHEMBL19165160 0.80 HIF1A (0.50) HIF1AALDH1A1HSD17B10CYP2C19CYP1A2
SCHEMBL20412724 0.77 ALDH1A1 (0.34) HIF1AALDH1A1CYP2C19ALOX15L3MBTL1
SCHEMBL18359693 0.76 HIF1A (0.47) HIF1AALDH1A1HSD17B10CYP2C19CYP1A2

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 HIF1A 1201/4885ALDH1A1 2893/4885HSD17B10 2319/4885
US-20180208514-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERY OF NUTRIENTS AND MICRONUTRIENTS TO PLANTS SLC19A1, SLC19A2, SLC39A3 HIF1A 1201/4885ALDH1A1 2893/4885HSD17B10 2319/4885

“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.