SCHEMBL7228385

SCHEMBL7228385

O=c1c2sc3ccccc3c2oc2cc(O)cc(O)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 5/20 1.00
▸ ESR1 P03372 3/20 1.00
▸ MAOA P21397 6/20 0.59
▸ ATP1A1 P05023 2/20 0.59
▸ ATP1B1 P05026 2/20 0.59
▸ ATP1A3 P13637 2/20 0.59
▸ ATP1B2 P14415 2/20 0.59
▸ ATP1A2 P50993 2/20 0.59
▸ ATP1B3 P54709 2/20 0.59
▸ FXYD2 P54710 2/20 0.59
▸ ATP1A4 Q13733 2/20 0.59
▸ MGAM O43451 4/20 0.58
▸ GAA P10253 2/20 0.58
▸ SI P14410 2/20 0.58
▸ MGAM2 Q2M2H8 2/20 0.58
▸ MAOB P27338 2/20 0.55
▸ CLK1 P49759 1/20 0.52
▸ CLK2 P49760 1/20 0.52
▸ CLK3 P49761 1/20 0.52
▸ CDK5 Q00535 1/20 0.52

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
SCHEMBL7228032 0.81 ESR2 (1.00) ESR2ESR1MAOAMGAMGAA
SCHEMBL7235669 0.76 ESR2 (1.00) ESR2ESR1MAOAATP1A1ATP1B1
SCHEMBL7246696 0.75 ESR2 (0.71) ESR2ESR1MAOACYP3A4MAPT
SCHEMBL29396825 0.75 MAOA (1.00) ESR2ESR1MAOAATP1A1ATP1B1
SCHEMBL4743861 0.75 MAOA (1.00) ESR2ESR1MAOAATP1A1ATP1B1
SCHEMBL2314333 0.74 MGAM (1.00) ESR2ESR1MAOAATP1A1ATP1B1
SCHEMBL30346407 0.74 MGAM (1.00) ESR2ESR1MAOAATP1A1ATP1B1
SCHEMBL11027790 0.73 MAOA (0.70) ESR2ESR1MAOAATP1A1ATP1B1
SCHEMBL28020193 0.73 MGAM (0.97) ESR2ESR1MAOAATP1A1ATP1B1
SCHEMBL7236938 0.73 MAOA (0.62) ESR2ESR1MAOAMGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6559177-B2 For therapy or inhibiting osteoporosis or inhibiting bone demineralization, inflammatory bowel disease, Crohn's disease, ulcerative proctitis, or colitis in mammal WYETH 2003-05-06 — — US disclosed
US-20020183310-A1 5,11-dioxa-benzo[b]fluoren-10-one and 5-oxa-11-thia-benzo[b]fluoren-10-ones as estrogenic agents WYETH 2002-12-05 — — 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-20020183310-A1 5,11-dioxa-benzo[b]fluoren-10-one and 5-oxa-11-thia-benzo[b]fluoren-10-ones as estrogenic agents ESR1, GPER1, ESR2 ESR2 3/4885ESR1 1/4885MAOA 716/4885

“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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