SCHEMBL7117485

SCHEMBL7117485

CC(=O)c1c(O)cc2c(c1O)CCc1ccccc1S2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ PTGES O14684 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ HPGD P15428 4/20 0.35
▸ THRB P10828 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 4/20 0.34
▸ NOX1 Q9Y5S8 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ CYBB P04839 1/20 0.34
▸ APP P05067 1/20 0.34
▸ SNCA P37840 1/20 0.34
▸ NOX3 Q9HBY0 1/20 0.34
▸ NOX4 Q9NPH5 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ MAPK1 P28482 2/20 0.33

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
SCHEMBL7111665 0.85 MEN1 (0.40) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL7116812 0.82 MEN1 (0.34) ALDH1A1LMNAPTGESALOX5MEN1
SCHEMBL7115783 0.81 MEN1 (0.33) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL7112404 0.74 MAOA (0.35) ALDH1A1PTGESALOX5MEN1KMT2A
SCHEMBL7110317 0.73 ALDH1A1 (0.41) ALDH1A1LMNAALOX5MEN1KMT2A
SCHEMBL7111900 0.72 ALDH1A1 (0.41) ALDH1A1LMNAALOX5MEN1KMT2A
SCHEMBL7117499 0.71 MEN1 (0.39) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL11247669 0.71 ALDH1A1 (0.36) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL11009216 0.69 SRD5A2 (0.40) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL7115061 0.69 MTNR1A (0.33) ALDH1A1MEN1KMT2AHPGDCYP3A4

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 1131/4885PTGES 291/4885

“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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