SCHEMBL7114663

SCHEMBL7114663

COc1ccc(NC(=O)c2c(O)c(C)cc(C)c2O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 13/20 0.58
▸ RAB9A P51151 13/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ TP53 P04637 2/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ MAPT P10636 2/20 0.54
▸ TSHR P16473 1/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ CASP3 P42574 2/20 0.54
▸ SENP7 Q9BQF6 2/20 0.54
▸ SENP6 Q9GZR1 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ TGM2 P21980 1/20 0.51
▸ GAA P10253 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ TAS1R3 Q7RTX0 1/20 0.51
▸ TAS1R1 Q7RTX1 1/20 0.51
▸ TAS1R2 Q8TE23 1/20 0.51
▸ CYP1A2 P05177 2/20 0.50

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
SCHEMBL7763484 0.86 MAPT (0.55) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL7120067 0.83 NPC1 (0.57) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL7118156 0.83 TAS1R3 (0.61) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL7113169 0.81 SNCA (0.54) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7121710 0.80 HPGD (0.56) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL12521437 0.77 NPC1 (0.72) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL7124123 0.77 ALDH1A1 (0.64) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL2917029 0.76 NPC1 (0.82) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL28937078 0.76 TOP1 (0.74) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL11303092 0.76 CYP3A4 (0.60) NPC1RAB9ASMN1; SMN2TP53ALOX15

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-20030212074-A1 Phosphate transport inhibitors SMITHKLINE BEECHAM CORPORATION 2003-11-13 — — 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-20030212074-A1 Phosphate transport inhibitors SLC34A2, SLC34A3, SLC34A1 NPC1 1199/4885RAB9A 2291/4885SMN1; SMN2 4632/4885

“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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