SCHEMBL7116812

SCHEMBL7116812

CC(=O)c1c(O)cc(O)c2c1Sc1ccccc1CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ THRB P10828 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PTGES O14684 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ GAA P10253 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ ALOX15 P16050 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HSD17B3 P37058 3/20 0.31
▸ HSP90AA1 P07900 2/20 0.31
▸ HSP90AB1 P08238 2/20 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
SCHEMBL7117499 0.86 MEN1 (0.39) MEN1KMT2AHPGDCYP3A4ALDH1A1
SCHEMBL7115783 0.82 MEN1 (0.33) MEN1KMT2AHPGDTHRBALDH1A1
SCHEMBL7117485 0.82 ALDH1A1 (0.36) MEN1KMT2AHPGDTHRBCYP3A4
SCHEMBL7115061 0.71 MTNR1A (0.33) MEN1KMT2AHPGDCYP3A4ALDH1A1
SCHEMBL7111665 0.71 MEN1 (0.40) MEN1KMT2AHPGDCYP3A4ALDH1A1
SCHEMBL7110948 0.70 MEN1 (0.34) MEN1KMT2AHPGDTHRBCYP3A4
SCHEMBL7110317 0.69 ALDH1A1 (0.41) MEN1KMT2AHPGDALDH1A1LMNA
SCHEMBL2762686 0.68 BCL2L1 (0.38) MEN1KMT2AHPGDTHRBCYP3A4
SCHEMBL11247669 0.67 ALDH1A1 (0.36) MEN1KMT2AHPGDALDH1A1LMNA
SCHEMBL11432336 0.65 TRPA1 (0.41) KMT2AHPGDTHRBCYP3A4ALDH1A1

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 918/4885HPGD 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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