SCHEMBL7110948

SCHEMBL7110948

CC(=O)c1c(O)cc(O)c2c1Oc1ccccc1CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ PTGS2 P35354 2/20 0.32
▸ PTGES O14684 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL7114312 0.84 NPC1 (0.38) MEN1KMT2AHPGDCYP3A4PTGS2
SCHEMBL7112404 0.81 MAOA (0.35) MEN1KMT2AHPGDTHRBCYP3A4
SCHEMBL7114525 0.75 ESR1 (0.36) PTGS2MAOAMAOBHSP90AB1
SCHEMBL7116812 0.70 MEN1 (0.34) MEN1KMT2AHPGDTHRBCYP3A4
SCHEMBL7117542 0.70 CTSB (0.40) MEN1KMT2AHPGDCYP3A4SMN1; SMN2
SCHEMBL5106538 0.69 MAOA (0.42) MEN1KMT2AHPGDCYP3A4SMN1; SMN2
SCHEMBL12599531 0.66 HPGD (0.42) MEN1KMT2AHPGDTHRBCYP3A4
SCHEMBL14098039 0.66 ALDH1A1 (0.44) MEN1KMT2ACYP3A4SMN1; SMN2KDM4E
SCHEMBL7117485 0.66 ALDH1A1 (0.36) MEN1KMT2AHPGDTHRBCYP3A4
Dihydrocoumarin SCHEMBL29121139 0.65 MAOB (0.41) MEN1KMT2AHPGDSMN1; SMN2TDP1

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 MEN1 4726/4885KMT2A 918/4885HPGD 1148/4885

“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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