SCHEMBL7110256

SCHEMBL7110256

COc1cc2c(cc1O)C(=O)Cc1ccccc1S2

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
LMNA P02545 1/20 0.59
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
HPGD P15428 3/20 0.56
KDM4E B2RXH2 2/20 0.56
HTT P42858 1/20 0.56
ATM Q13315 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.52
MAPT P10636 1/20 0.52
BLM P54132 1/20 0.43
CGAS Q8N884 1/20 0.42
MIF P14174 2/20 0.42
PTGS2 P35354 1/20 0.42
OPRK1 P41145 1/20 0.42
PDE4D Q08499 1/20 0.42
CES2 O00748 1/20 0.42
ACHE P22303 3/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL7112968 0.89 KMT2A (0.61) ALDH1A1LMNAKMT2AMEN1HPGD
SCHEMBL7110795 0.84 ALDH1A1 (0.70) ALDH1A1LMNAKMT2AMEN1HPGD
SCHEMBL11480404 0.84 HPGD (0.59) ALDH1A1LMNAKMT2AMEN1HPGD
SCHEMBL5640862 0.77 KMT2A (0.63) ALDH1A1LMNAKMT2AMEN1HPGD
SCHEMBL11488577 0.75 ALDH1A1 (0.59) ALDH1A1LMNAKMT2AMEN1HPGD
SCHEMBL7136366 0.75 ALDH1A1 (1.00) ALDH1A1LMNAKMT2AMEN1HPGD
SCHEMBL5658125 0.74 ALDH1A1 (0.67) ALDH1A1LMNAKMT2AMEN1HPGD
SCHEMBL2763282 0.74 KMT2A (0.68) ALDH1A1LMNAKMT2AMEN1HPGD
SCHEMBL7117481 0.74 ALDH1A1 (0.52) ALDH1A1LMNAKMT2AMEN1HPGD
SCHEMBL5641498 0.73 HPGD (0.70) ALDH1A1LMNAKMT2AMEN1HPGD

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 1131/4885KMT2A 918/4885

“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.