SCHEMBL7108704

SCHEMBL7108704

COc1cc2c(cc1OC)C(=O)Cc1ccccc1O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CYP3A4 P08684 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40

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
SCHEMBL7110960 0.82 KDM4E (0.39) MAOBCYP3A4KDM4EMEN1KMT2A
SCHEMBL7112395 0.82 KMT2A (0.39) MAOBCYP3A4KDM4EMEN1KMT2A
SCHEMBL7115732 0.82 MAPT (0.40) CYP3A4KDM4EMAPTHSD17B10MEN1
SCHEMBL7115050 0.82 CXCL12 (0.40) CYP3A4KDM4EMAPTMEN1KMT2A
SCHEMBL5658380 0.80 NPC1 (0.43) MAOAMAOBCYP3A4KDM4EMAPT
SCHEMBL5658535 0.78 MAOA (0.52) MAOAMAOBKDM4EMAPTCASP1
SCHEMBL7111952 0.78 KDM4E (0.39) MAOBCYP3A4KDM4EMAPTCASP1
SCHEMBL7112833 0.77 MAOA (0.50) MAOAMAOBCYP3A4KDM4EMAPT
SCHEMBL4098612 0.77 HPGD (0.39) MAOAMAOBKDM4EMAPTCASP1
SCHEMBL7115046 0.76 ABCG2 (0.52) MAOAMAOBCYP3A4KDM4EHSD17B10

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 5 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
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 2228/4885CYP3A4 2158/4885

“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.