SCHEMBL7112829

SCHEMBL7112829

O=C1Cc2ccccc2Oc2cc(O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.49
MAOA P21397 6/20 0.48
MAOB P27338 6/20 0.48
CYP19A1 P11511 3/20 0.48
PSMB5 P28074 1/20 0.48
KDM4E B2RXH2 1/20 0.44
MAPT P10636 3/20 0.43
RAB9A P51151 2/20 0.43
CISD1 Q9NZ45 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
YES1 P07947 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42

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
SCHEMBL7112833 0.83 MAOA (0.50) ALDH1A1LMNAMAOAMAOBKDM4E
SCHEMBL4427203 0.81 MAOA (0.61) ALDH1A1MAOAMAOBCYP19A1KDM4E
SCHEMBL11454990 0.81 MAOB (0.48) MAOAMAOB
SCHEMBL30578750 0.80 MAOA (0.65) MAOAMAOBMAPTESR2MEN1
SCHEMBL7511142 0.80 MAOA (0.65) MAOAMAOBMAPTESR2MEN1
SCHEMBL17675245 0.78 MAOA (0.54) ALDH1A1MAOAMAOBCYP19A1PSMB5
SCHEMBL5658535 0.78 MAOA (0.52) ALDH1A1LMNAMAOAMAOBKDM4E
SCHEMBL7110722 0.77 CYP19A1 (0.48) ALDH1A1MAOAMAOBCYP19A1PSMB5
SCHEMBL2114477 0.76 MAOA (0.49) MAOAMAOBCYP19A1PSMB5KDM4E
SCHEMBL2530756 0.76 MAOA (0.65) ALDH1A1LMNAMAOAMAOBMAPT

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 ALDH1A1 2363/4885LMNA 1131/4885MAOA 2385/4885

“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.