SCHEMBL7115666

SCHEMBL7115666

COc1cc(O)c2c(c1O)Oc1ccccc1CC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
PABPC1 P11940 1/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
EIF4H Q15056 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP19A1 P11511 1/20 0.43
KDM4E B2RXH2 2/20 0.42
STK17B O94768 2/20 0.40
PTPN1 P18031 2/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 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
SCHEMBL7111015 0.85 MAPT (0.41) GAAMEN1MAPTKMT2APOLB
SCHEMBL7117517 0.84 MAOA (0.43) MEN1MAPTKMT2APOLBRECQL
SCHEMBL7115413 0.83 CYP19A1 (0.39) GAAMEN1MAPTKMT2ARECQL
SCHEMBL7117426 0.82 CYP19A1 (0.41) GAAMEN1MAPTKMT2APOLB
SCHEMBL7115393 0.78 MAOB (0.40) GAAMEN1MAPTKMT2APOLB
SCHEMBL7115723 0.78 ABCG2 (0.53) GAAMAPTCYP19A1KDM4EALDH1A1
SCHEMBL7110710 0.76 MAOA (0.47) GAAMEN1MAPTKMT2AL3MBTL1
SCHEMBL8098734 0.75 KMT2A (0.39) GAAMEN1MAPTKMT2APOLB
SCHEMBL4098612 0.74 HPGD (0.39) MEN1MAPTKMT2APOLBL3MBTL1
SCHEMBL7115046 0.74 ABCG2 (0.52) KDM4EALDH1A1ABCG2MAOBMAOA

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 6 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
EP-0805155-B1 NOVEL ANTIOXIDANT TRICYCLIC FUSED HETEROCYCLIC COMPOUND NIPPON SUISAN KAISHA LTD (JP) 2002-03-13 EP 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
EP-0805155-A1 NOVEL ANTIOXIDANT TRICYCLIC FUSED HETEROCYCLIC COMPOUND NIPPON SUISAN KAISHA, LTD. (JP) 1997-11-05 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 GAA 4581/4885MEN1 4726/4885MAPT 4818/4885

“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.