SCHEMBL7112833

SCHEMBL7112833

O=C1Cc2ccccc2Oc2cc(O)c(O)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.50
MAOB P27338 3/20 0.50
ALDH1A1 P00352 6/20 0.40
LMNA P02545 1/20 0.40
BCL2 P10415 1/20 0.39
MCL1 Q07820 1/20 0.39
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38
TOP1 P11387 1/20 0.37
TOP2A P11388 1/20 0.37
LDHA P00338 1/20 0.37
LDHB P07195 1/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 3/20 0.37
ACSL1 P33121 1/20 0.36
STK17B O94768 2/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MIF P14174 1/20 0.35

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
SCHEMBL7112415 0.83 TDP2 (0.40) MAOAMAOBMCL1HDAC4HDAC2
SCHEMBL7112829 0.83 ALDH1A1 (0.49) MAOAMAOBALDH1A1LMNAKDM4E
SCHEMBL5658535 0.82 MAOA (0.52) MAOAMAOBALDH1A1LMNABCHE
SCHEMBL7110714 0.80 ALOX15 (0.39) MAOAMAOBALDH1A1LMNABCL2
SCHEMBL7115791 0.80 ACHE (0.36) MAOAMAOBLDHALDHBSTK17B
SCHEMBL7114519 0.80 LDHA (0.43) MAOAMAOBALDH1A1LMNABCL2
SCHEMBL7117559 0.80 AR (0.39) MAOAMAOBLDHALDHBHPGD
SCHEMBL7112749 0.80 AR (0.41) MAOAMAOBLDHALDHBHPGD
SCHEMBL7112746 0.80 NOTUM (0.36) MAOBALDH1A1LDHALDHBKDM4E
SCHEMBL5659954 0.79 MAOA (0.48) MAOAMAOBALDH1A1LMNABCHE

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 MAOA 2385/4885MAOB 2228/4885ALDH1A1 2363/4885

“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.