SCHEMBL7117499

SCHEMBL7117499

CCC(=O)c1c(O)cc(O)c2c1Sc1ccccc1CC2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ MYLK Q15746 3/20 0.32
▸ HSP90AB1 P08238 2/20 0.32
▸ HSP90AA1 P07900 2/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7116812 0.86 MEN1 (0.34) MEN1KMT2ACYP3A4HSP90AB1HSP90AA1
SCHEMBL7111665 0.84 MEN1 (0.40) MEN1KMT2ACYP3A4PTGS1DRD3
SCHEMBL7115061 0.84 MTNR1A (0.33) MEN1KMT2ACYP3A4PTGS1DRD3
SCHEMBL7115783 0.71 MEN1 (0.33) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL7117485 0.71 ALDH1A1 (0.36) MEN1KMT2ACYP3A4HSP90AB1HSP90AA1
SCHEMBL7117542 0.68 CTSB (0.40) MEN1KMT2ACYP3A4PTGS1DRD3
SCHEMBL7110317 0.66 ALDH1A1 (0.41) MEN1KMT2AHSP90AB1HSP90AA1ALDH1A1
SCHEMBL2762686 0.65 BCL2L1 (0.38) MEN1KMT2ACYP3A4PTGS1DRD3
SCHEMBL28092927 0.65 ALDH1A1 (0.41) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL11247669 0.64 ALDH1A1 (0.36) MEN1KMT2AALDH1A1LMNAKDM4E

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 MEN1 4726/4885KMT2A 918/4885CYP3A4 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.

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