SCHEMBL7115393

SCHEMBL7115393

COc1cc(OC)c2c(c1OC)Oc1ccccc1CC2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
ABCG2 Q9UNQ0 2/20 0.40
ABCB1 P08183 1/20 0.40
MAPT P10636 5/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
PABPC1 P11940 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
EIF4H Q15056 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOA P21397 1/20 0.38
KDM4E B2RXH2 5/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37

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
SCHEMBL8098734 0.81 KMT2A (0.39) ABCG2ABCB1MAPTGAAMEN1
SCHEMBL7110728 0.80 PTGS2 (0.43) MAOBMAPTMEN1POLBKMT2A
SCHEMBL7115413 0.80 CYP19A1 (0.39) MAPTGAAMEN1RECQLKMT2A
SCHEMBL7115666 0.78 GAA (0.44) MAOBABCG2ABCB1MAPTGAA
SCHEMBL7115046 0.77 ABCG2 (0.52) MAOBABCG2MAOAKDM4EALDH1A1
SCHEMBL4098612 0.75 HPGD (0.39) MAOBMAPTMEN1POLBKMT2A
SCHEMBL7108704 0.72 MAOA (0.46) MAOBMAPTMEN1KMT2AMAOA
SCHEMBL7112492 0.70 KDM4E (0.39) MAOBMAPTKDM4ETUBB4ATUBB
SCHEMBL5758407 0.69 MAOB (0.53) MAOBMAPTMEN1KMT2AMAOA
SCHEMBL7115723 0.68 ABCG2 (0.53) MAOBABCG2MAPTGAAMAOA

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-20030065021-A1 Tracheal smooth muscle relaxants YAMASHITA SHINYA (JP) 2003-04-03 US disclosed
US-6495592-B1 DIBENZ(B,F)OXEPIN DERIVATIVES; ANTIASTHMATICS NIPPON SUISAN KAISHA, LTD. (JP) 2002-12-17 US disclosed
US-6180659-B1 USING A DIBENZO(B,F)-(OXEPIN OR THIEPIN) COMPOUND NIPPON SUISAN KAISHA, LTD. (JP) 2001-01-30 US disclosed
EP-0885610-A1 TRACHEAL SMOOTH MUSCLE RELAXANT NIPPON SUISAN KAISHA, LTD. (JP) 1998-12-23 EP 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-20030065021-A1 Tracheal smooth muscle relaxants MYLK, MUSK, CPT1B MAOB 2228/4885ABCG2 4219/4885ABCB1 4015/4885

“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.