SCHEMBL7112404

SCHEMBL7112404

CC(=O)c1c(O)cc2c(c1O)CCc1ccccc1O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ PTGES O14684 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CA12 O43570 1/20 0.32

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
SCHEMBL7117542 0.86 CTSB (0.40) MAOAMAOBCTSBMEN1KMT2A
SCHEMBL7110948 0.81 MEN1 (0.34) MAOAMAOBPTGESALOX5MEN1
SCHEMBL7110974 0.75 DRD2 (0.35) MAOAMAOBCYP3A4HPGDALDH1A1
SCHEMBL7117485 0.74 ALDH1A1 (0.36) PTGESALOX5MEN1KMT2ACYP3A4
SCHEMBL5106538 0.72 MAOA (0.42) MAOAMAOBMEN1KMT2ACYP3A4
SCHEMBL7111581 0.71 MAOA (0.48) MAOAMAOBGAA
SCHEMBL14098039 0.68 ALDH1A1 (0.44) MEN1KMT2ACYP3A4MAPTALDH1A1
SCHEMBL30360775 0.68 MAOA (0.70) MAOAMAOBALOX5GAA
SCHEMBL971330 0.68 MAOA (0.70) MAOAMAOBALOX5GAA
SCHEMBL12599530 0.68 CTSB (0.58) CTSBMEN1KMT2ACYP3A4HPGD

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 2228/4885CTSB 4656/4885

“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.

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