SCHEMBL22249384

SCHEMBL22249384

CCNCCc1cc(O)c(O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
MAPK1 P28482 3/20 0.41
HIF1A Q16665 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP1A2 P05177 2/20 0.41
TSHR P16473 2/20 0.41
NFKB1 P19838 2/20 0.41
THPO P40225 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
HPGD P15428 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
BLM P54132 2/20 0.40
GMNN O75496 1/20 0.40
GFER P55789 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL30674028 0.80 MAPT (0.67) MAPTMAPK1HIF1AHSD17B10CYP1A2
SCHEMBL5285529 0.80 MAPT (0.67) MAPTMAPK1HIF1AHSD17B10CYP1A2
SCHEMBL1173905 0.80 HTT (0.52) MAPK1HIF1AHSD17B10TSHRNFKB1
Bromide SCHEMBL9444692 0.79 MAPT (0.65) MAPTMAPK1HIF1AHSD17B10CYP1A2
SCHEMBL31542040 0.78 GSR (0.39) MAPTHIF1AHSD17B10NFKB1ALOX15
SCHEMBL22249281 0.78 MAPT (0.64) MAPTMAPK1HIF1AHSD17B10CYP1A2
SCHEMBL24277508 0.76 MAPT (0.46) MAPTHIF1AHSD17B10TSHRHPGD
Methoxymethane SCHEMBL20573056 0.74 HTT (0.52) MAPK1CYP1A2TSHRNFKB1HPGD
SCHEMBL22249279 0.73 ADRB2 (0.44) MAPTMAPK1HIF1AHSD17B10CYP1A2
SCHEMBL31751559 0.73 GABRA1 (0.44) MAPTMAPK1HIF1AHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200230288-A1 HYDROGEL USING, AS SUBSTRATE, HYALURONIC ACID DERIVATIVE MODIFIED WITH GALLOL GROUP AND USE THEREOF AMTIXBIO CO., LTD. (KR) 2020-07-23 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 (1 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-20200230288-A1 HYDROGEL USING, AS SUBSTRATE, HYALURONIC ACID DERIVATIVE MODIFIED WITH GALLOL GROUP AND USE THEREOF CD44, PGA5, HAO2 MAPT 4300/4885MAPK1 2261/4885HIF1A 710/4885

“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.