SCHEMBL18359693

SCHEMBL18359693

COc1cc(CN(C)CC(=O)O)c(O)c(CN(C)CC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.47
KDM4E B2RXH2 3/20 0.44
POLB P06746 3/20 0.44
ABL1 P00519 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
RIN1 Q13671 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
ALDH1A1 P00352 7/20 0.44
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CYP2C19 P33261 1/20 0.42
CASP7 P55210 1/20 0.42
CD274 Q9NZQ7 2/20 0.40
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL18359715 0.87 CA1 (0.51) HIF1AKDM4EPOLBABL1MAPT
SCHEMBL19165160 0.81 HIF1A (0.50) HIF1AALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL3376374 0.79 POLB (0.50) KDM4EPOLBABL1MAPTRECQL
SCHEMBL18359717 0.79 HIF1A (0.43) HIF1AKDM4EPOLBMAPTRECQL
SCHEMBL5070398 0.79 HIF1A (0.48) HIF1AMAPTALDH1A1HSD17B10CYP1A2
SCHEMBL18359690 0.76 HIF1A (0.46) HIF1AALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL29953199 0.76 MAPT (0.43) HIF1AKDM4EMAPTRECQLALDH1A1
SCHEMBL19485050 0.75 HIF1A (0.44) HIF1AALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL18359705 0.75 MAPT (0.44) HIF1AKDM4EMAPTRECQLALDH1A1
SCHEMBL18359692 0.74 ALDH1A1 (0.48) HIF1AKDM4EMAPTALDH1A1HSD17B10

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 1201/4885KDM4E 2970/4885POLB 3538/4885
US-20180208514-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERY OF NUTRIENTS AND MICRONUTRIENTS TO PLANTS SLC19A1, SLC19A2, SLC39A3 HIF1A 1201/4885KDM4E 2970/4885POLB 3538/4885

“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.