SCHEMBL5623564

SCHEMBL5623564

COc1ccc(CC(=O)c2c(Cl)cc(OC)cc2OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.52
▸ HTT P42858 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ KMT2A Q03164 4/20 0.51
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ ATM Q13315 1/20 0.48
▸ USP2 O75604 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.46
▸ GAA P10253 2/20 0.45

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
SCHEMBL18170316 0.83 SMN1; SMN2 (0.59) NPC1HTTLMNASMN1; SMN2RAB9A
SCHEMBL27814558 0.78 CYP3A4 (0.60) NPC1HTTLMNASMN1; SMN2RAB9A
SCHEMBL4779632 0.78 SMN1; SMN2 (0.62) NPC1HTTLMNASMN1; SMN2RAB9A
SCHEMBL27683482 0.76 CYP3A4 (0.53) NPC1LMNASMN1; SMN2KMT2ACYP3A4
SCHEMBL26528807 0.76 NFKB1 (0.72) NPC1HTTLMNARAB9AKMT2A
SCHEMBL224315 0.76 NPC1 (0.83) NPC1HTTLMNASMN1; SMN2RAB9A
SCHEMBL5624104 0.75 SMN1; SMN2 (0.56) NPC1HTTLMNASMN1; SMN2RAB9A
SCHEMBL4771241 0.74 SMN1; SMN2 (0.67) NPC1HTTLMNASMN1; SMN2RAB9A
SCHEMBL4638387 0.73 MAPK1 (0.50) HTTSMN1; SMN2KMT2ACYP3A4CYP2D6
SCHEMBL392612 0.73 NPC1 (0.62) NPC1HTTLMNASMN1; SMN2RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226945-B2 Estrogen receptor-β ligands ASTRAZENECA AB (SE) 2007-06-05 — — US disclosed
US-7226945-B2 Estrogen receptor-β ligands ASTRAZENECA AB (SE) 2007-06-05 — — US disclosed
US-7226945-B2 Estrogen receptor-β ligands ASTRAZENECA AB (SE) 2007-06-05 — — US disclosed
US-20050043350-A9 Estrogen Receptor-beta ligands ASTRAZENECA AB (SE) 2005-02-24 — — US disclosed
US-20040039015-A1 Estrogen Receptor-beta ligands BARLAAM BERNARD (FR) 2004-02-26 — — US disclosed
EP-1326593-A1 ESTROGEN RECEPTOR-$g(b) LIGANDS AstraZeneca AB (SE) 2003-07-16 — — EP disclosed
WO-2002030407-A1 ESTROGEN RECEPTOR-β LIGANDS ASTRAZENECA AB (SE) 2002-04-18 — — WO 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 (2 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-20050043350-A9 Estrogen Receptor-beta ligands ESR2, GPER1, ESR1 NPC1 814/4885HTT 3169/4885LMNA 4303/4885
US-20040039015-A1 Estrogen Receptor-beta ligands ESR2, GPER1, ESRRG NPC1 870/4885HTT 2798/4885LMNA 4363/4885

“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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