SCHEMBL21165162

SCHEMBL21165162

COc1ccc(C2OCCO2)c(/C=C2\CC3(C/C(=C\c4cc(OC)ccc4C4OCCO4)C2=O)OCCO3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.43
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MIF P14174 2/20 0.35
POLB P06746 2/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
MAOB P27338 2/20 0.34
CYP26A1 O43174 2/20 0.34
PIM1 P11309 1/20 0.34
AKR1B1 P15121 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
EGFR P00533 1/20 0.34
ABCB1 P08183 2/20 0.34
MAPT P10636 1/20 0.34
PAX8 Q06710 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
SCHEMBL21165163 0.83 NFE2L2 (0.33) NFE2L2ALDH1A1GAAMEN1KMT2A
SCHEMBL21165084 0.79 ALDH1A1 (0.34) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL21164867 0.75 ERN1 (0.50) NFE2L2ALDH1A1NPC1RAB9AMAPT
SCHEMBL21165239 0.68
SCHEMBL17133355 0.67 NPC1 (0.52) ALDH1A1GAAMEN1KMT2ANPC1
SCHEMBL18198243 0.66 NPC1 (0.54) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL5790025 0.64 NPC1 (0.52) ALDH1A1GAANPC1RAB9AMAPT
SCHEMBL4802700 0.63 NPC1 (0.54) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL1119892 0.62 NPC1 (0.52) NPC1RAB9APOLBMAPT
SCHEMBL29404769 0.62 NPC1 (0.52) NPC1RAB9APOLBMAPT

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-10351706-B2 Near-infrared fluorescent dyes and uses thereof EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-07-16 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-10351706-B2 Near-infrared fluorescent dyes and uses thereof IK, CYBA, CRY2 NFE2L2 1476/4885ALDH1A1 192/4885GAA 970/4885

“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.