SCHEMBL22338113

SCHEMBL22338113

O=C1NC(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)N(c1ccccc1)C5O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
RAB9A P51151 5/20 0.43
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 4/20 0.39
KDM4E B2RXH2 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
RECQL P46063 2/20 0.39
APOBEC3A P31941 1/20 0.39
CASP6 P55212 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 5/20 0.35
MEN1 O00255 3/20 0.35
USP2 O75604 3/20 0.35
MAPT P10636 3/20 0.35
PARP1 P09874 2/20 0.35

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
SCHEMBL19242979 1.00 ALDH1A1 (0.43) ALDH1A1RAB9AHSD17B10NPC1SMN1; SMN2
SCHEMBL20017043 0.87 KDM4E (0.52) ALDH1A1RAB9AHSD17B10NPC1SMN1; SMN2
SCHEMBL21023279 0.87 KDM4E (0.52) ALDH1A1RAB9AHSD17B10NPC1SMN1; SMN2
SCHEMBL14767877 0.87 KDM4E (0.52) ALDH1A1RAB9AHSD17B10NPC1SMN1; SMN2
SCHEMBL23790146 0.81 KDM4E (0.54) ALDH1A1RAB9AHSD17B10NPC1SMN1; SMN2
SCHEMBL18475559 0.78 CHEK1 (0.43) ALDH1A1RAB9AHSD17B10NPC1SMN1; SMN2
SCHEMBL7597013 0.78 KDM4E (0.51) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL7597209 0.78 KDM4E (0.51) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL7598895 0.78 KDM4E (0.51) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL19243117 0.76 KDM4E (0.49) ALDH1A1RAB9ANPC1SMN1; SMN2TP53

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-20200255453-A1 ENERGY STORAGE MOLECULAR MATERIAL, CRYSTAL DIELECTRIC LAYER AND CAPACITOR CAPACITOR SCIENCES INCORPORATED 2020-08-13 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-20200255453-A1 ENERGY STORAGE MOLECULAR MATERIAL, CRYSTAL DIELECTRIC LAYER AND CAPACITOR EPCAM, PIEZO1, L1CAM ALDH1A1 3973/4885RAB9A 2674/4885HSD17B10 3275/4885

“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.