SCHEMBL22420289

SCHEMBL22420289

COc1ccc(C(O)c2ccc(N3CCN(C)CC3)cc2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ HIF1A Q16665 5/20 0.52
▸ ACHE P22303 2/20 0.45
▸ SIRT6 Q8N6T7 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ BRD4 O60885 2/20 0.44
▸ MAP4K1 Q92918 2/20 0.44
▸ TLR9 Q9NR96 2/20 0.44
▸ TLR8 Q9NR97 2/20 0.44
▸ TLR7 Q9NYK1 2/20 0.44
▸ IL2 P60568 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ MAP4K3 Q8IVH8 1/20 0.44
▸ HTR6 P50406 1/20 0.43
▸ HTR1A P08908 1/20 0.43

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
SCHEMBL13243994 0.80 SIRT6 (0.63) NPC1POLBRAB9AACHESIRT6
SCHEMBL6656697 0.78 PPARG (0.61) ACHELMNAGAAHTTSMN1; SMN2
SCHEMBL14095309 0.77 SIGMAR1 (0.57) NPC1RAB9AGAAHTR1A
SCHEMBL477320 0.74 CNR2 (0.58) ACHELMNAGAAHTTSMN1; SMN2
SCHEMBL25688701 0.74 PPARG (0.57) NPC1RAB9AACHELMNAGAA
SCHEMBL23441685 0.73 MAPT (0.57) NPC1RAB9ASIRT6LMNAGAA
SCHEMBL1599288 0.73 FYN (0.57) NPC1POLBRAB9ASIRT6LMNA
SCHEMBL24050778 0.72 PPARG (0.51) ACHELMNAGAAHTTSMN1; SMN2
SCHEMBL27778631 0.72 SIRT6 (0.51) NPC1POLBRAB9AACHESIRT6
SCHEMBL20354340 0.72 ALDH1A1 (0.55) NPC1RAB9ASIRT6LMNAGAA

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-10772858-B2 Benzhydrol derivatives for the management of conditions related to hypoxia inducible factors GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2020-09-15 — — 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-10772858-B2 Benzhydrol derivatives for the management of conditions related to hypoxia inducible factors HIF1A, HIF1AN, EGLN2 NPC1 3679/4885POLB 3148/4885RAB9A 3339/4885

“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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