SCHEMBL7110710

SCHEMBL7110710

O=C1Cc2ccccc2Oc2c(O)ccc(O)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.47
MAOB P27338 4/20 0.47
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
HPN P05981 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX5 P09917 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
PTGS1 P23219 1/20 0.41
PDE4A P27815 1/20 0.41
KDR P35968 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7117517 0.83 MAOA (0.43) MAOAMAOBMEN1MAPTKMT2A
SCHEMBL7110536 0.80 PSMB5 (0.49) MAOAMAOBMAPTAXLGAA
SCHEMBL7110722 0.76 CYP19A1 (0.48) MAOAMAOBMEN1MAPTKMT2A
SCHEMBL7112333 0.76 PLK1 (0.48) MAOAMAOBMEN1MAPTKMT2A
SCHEMBL7115666 0.76 GAA (0.44) MAOAMAOBMEN1MAPTKMT2A
SCHEMBL5094900 0.75 MAOA (0.59) MAOAMAOBMEN1MAPTKMT2A
SCHEMBL7114519 0.75 LDHA (0.43) MAOAMAOBMEN1MAPTKMT2A
SCHEMBL29800444 0.74 MAOA (0.62) MAOAMAOBALDH1A1TSHRBCHE
SCHEMBL57888 0.74 MAOA (0.62) MAOAMAOBALDH1A1TSHRBCHE
SCHEMBL2418922 0.72 MAOA (0.60) MAOAMAOBMAPKAPK2LMNAGAA

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 2228/4885MEN1 4726/4885

“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.