SCHEMBL5242713

SCHEMBL5242713

COc1cc(Br)c(OC)c(CC(=O)c2ccc(O)cc2O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.60
▸ HPGD P15428 4/20 0.60
▸ RAB9A P51151 4/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ ATM Q13315 1/20 0.60
▸ TTR P02766 1/20 0.57
▸ LMNA P02545 4/20 0.50
▸ MAPT P10636 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ MAPK1 P28482 3/20 0.48
▸ ESR1 P03372 1/20 0.48
▸ SHBG P04278 1/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ HSP90AB1 P08238 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46

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
SCHEMBL3934766 0.77 GSK3B (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL235761 0.76 TTR (0.71) NPC1HPGDRAB9AALDH1A1MEN1
Ononetin SCHEMBL30203900 0.75 NPC1 (1.00) NPC1HPGDRAB9AALDH1A1MEN1
Ononetin SCHEMBL2948430 0.75 NPC1 (1.00) NPC1HPGDRAB9AALDH1A1MEN1
SCHEMBL3927410 0.74 HSD17B10 (0.54) MAPTKDM4EHSD17B10
SCHEMBL27666843 0.74 MEN1 (0.36) NPC1HPGDRAB9AALDH1A1MEN1
SCHEMBL236515 0.73 TTR (1.00) NPC1HPGDRAB9AALDH1A1MEN1
SCHEMBL4724887 0.72 NPC1 (0.60) NPC1HPGDRAB9AALDH1A1MEN1
SCHEMBL5342594 0.71 NPC1 (0.64) NPC1HPGDRAB9AALDH1A1MEN1
SCHEMBL4731182 0.71 NPC1 (0.86) NPC1HPGDRAB9AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761513-A1 TETRACYCLIC COMPOUNDS AS ESTROGEN LIGANDS Wyeth (US) 2007-03-14 — — EP disclosed
WO-2006007503-A1 TETRACYCLIC COMPOUNDS AS ESTROGEN LIGANDS WYETH (US) 2006-01-19 — — WO disclosed
US-20060004087-A1 Tetracyclic compounds as estrogen ligands WYETH (US) 2006-01-05 — — 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-20060004087-A1 Tetracyclic compounds as estrogen ligands ESR1, ESRRA, ESR2 NPC1 2911/4885HPGD 4164/4885RAB9A 826/4885

“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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