SCHEMBL7228397

SCHEMBL7228397

COc1cc(OC)c2c(=O)c3oc4ccccc4c3oc2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.78
ADORA3 P0DMS8 4/20 0.60
SLC22A2 O15244 1/20 0.54
SLC22A1 O15245 1/20 0.54
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
ABCG2 Q9UNQ0 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53
TUBB4B P68371 1/20 0.53
TUBB3 Q13509 1/20 0.53
TUBB2A Q13885 1/20 0.53
TUBB8 Q3ZCM7 1/20 0.53

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
SCHEMBL7236937 0.88 MAOA (0.64) MAOAADORA3SLC22A2SLC22A1ALDH1A1
SCHEMBL7333754 0.87 MAOA (1.00) MAOAADORA3SLC22A2SLC22A1ALDH1A1
SCHEMBL7228422 0.86 MAOA (0.62) MAOAADORA3SLC22A2SLC22A1ALDH1A1
SCHEMBL12071050 0.85 MAOA (0.79) MAOAADORA3SLC22A2SLC22A1ALDH1A1
SCHEMBL8484364 0.82 MAOA (1.00) MAOAADORA3SLC22A2SLC22A1ALDH1A1
SCHEMBL7227675 0.79 MAOA (0.78) MAOAALDH1A1KDM4ENPC1RAB9A
SCHEMBL7236943 0.79 MAOA (0.78) MAOAALDH1A1KDM4ENPC1RAB9A
SCHEMBL7236938 0.79 MAOA (0.62) MAOAADORA3SLC22A2SLC22A1ALDH1A1
SCHEMBL31059963 0.77 MAOA (0.68) MAOAADORA3SLC22A2SLC22A1ALDH1A1
SCHEMBL31059964 0.77 MAOA (0.68) MAOAADORA3SLC22A2SLC22A1ALDH1A1

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 MAOA 716/4885ADORA3 408/4885SLC22A2 1482/4885

“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.