SCHEMBL7260982

SCHEMBL7260982

COc1ccc(-c2c3nc(cc4[nH]c(c(O)c4O)c(-c4ccc(N)cc4)c4nc(cc5[nH]c2c(O)c5O)CC4)CC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ TP53 P04637 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TYMS P04818 1/20 0.39
▸ JAK2 O60674 1/20 0.36
▸ SMPD3 Q9NY59 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ HSD17B10 Q99714 1/20 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
SCHEMBL7259976 0.85 STAT3 (0.40) ALDH1A1TP53NPC1HPGDSMN1; SMN2
SCHEMBL7262946 0.85 STAT3 (0.40) ALDH1A1TP53NPC1HPGDSMN1; SMN2
SCHEMBL7262924 0.74 TP53 (0.37) ALDH1A1TP53NPC1HPGDSMN1; SMN2
SCHEMBL7257094 0.74 TP53 (0.37) ALDH1A1TP53NPC1HPGDSMN1; SMN2
SCHEMBL7257922 0.72 STAT3 (0.37) ALDH1A1NPC1HPGDSMN1; SMN2MEN1
SCHEMBL24561 0.63 TDP1 (0.67) ALDH1A1TP53NPC1HPGDSMN1; SMN2
SCHEMBL13938601 0.62 NPC1 (0.68) ALDH1A1TP53NPC1HPGDSMN1; SMN2
SCHEMBL1926936 0.61 TDP1 (0.84) ALDH1A1TP53NPC1HPGDSMN1; SMN2
SCHEMBL29206621 0.61 DYRK1A (0.43) ALDH1A1TP53NPC1HPGDSMN1; SMN2
SCHEMBL5685506 0.60 MAPK1 (0.54) ALDH1A1TP53NPC1HPGDSMN1; SMN2

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-20030203888-A1 Chromophores WELLCOME TRUST LIMITED, THE (GB) 2003-10-30 — — 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-20030203888-A1 Chromophores HCCS, PPOX, HMBS ALDH1A1 2976/4885TP53 777/4885NPC1 799/4885

“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.

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