SCHEMBL7228032

SCHEMBL7228032

O=c1c2ccc(O)cc2oc2c1sc1ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 6/20 1.00
▸ ESR1 P03372 3/20 0.68
▸ MAOA P21397 5/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ KDM4E B2RXH2 5/20 0.48
▸ MAPT P10636 4/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ CASP1 P29466 2/20 0.48
▸ CASP7 P55210 2/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ DYRK1A Q13627 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ TSHR P16473 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
SCHEMBL7246696 0.84 ESR2 (0.71) ESR2ESR1MAOAKDM4EMAPT
SCHEMBL7228385 0.81 ESR2 (1.00) ESR2ESR1MAOAMAPTCYP3A4
SCHEMBL7227909 0.80 ESR2 (0.67) ESR2ESR1MAOANPSR1KDM4E
SCHEMBL7234834 0.75 ESR2 (0.77) ESR2ESR1MAOANPSR1RXFP1
SCHEMBL7237389 0.75 ESR2 (0.77) ESR2ESR1MAOANPSR1RXFP1
SCHEMBL2299504 0.74 MAOA (1.00) ESR2ESR1MAOANPSR1RXFP1
SCHEMBL29715739 0.74 MAOA (1.00) ESR2ESR1MAOANPSR1RXFP1
SCHEMBL7228411 0.72 ESR2 (0.83) ESR2ESR1MAOAKDM4EMAPT
SCHEMBL7339338 0.72 MAOA (1.00) ESR2ESR1MAOANPSR1RXFP1
SCHEMBL30468736 0.71 MAOA (0.81) ESR2ESR1MAOANPSR1RXFP1

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 4 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 claimed
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 claimed
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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