SCHEMBL6076741

SCHEMBL6076741

O=C(CCCc1cccc2ccc(Sc3ccccc3)cc12)NC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.54
EPHX1 P07099 2/20 0.50
HPGD P15428 3/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.44
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HDAC3 O15379 1/20 0.42

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
SCHEMBL7839258 0.88 EPHX2 (0.43) EPHX2EPHX1HPGDTSHRRAB9A
SCHEMBL7840877 0.83 EPHX2 (0.46) EPHX2EPHX1HPGDTSHRKMT2A
SCHEMBL5337584 0.83 EPHX2 (0.54) EPHX2EPHX1HPGDRAB9ANPC1
SCHEMBL5351385 0.82 EPHX2 (0.53) EPHX2EPHX1HPGDRAB9AKMT2A
SCHEMBL6075637 0.82 EPHX2 (0.53) EPHX2EPHX1HPGDRAB9ANPC1
SCHEMBL6076801 0.82 EPHX2 (0.53) EPHX2EPHX1HPGDRAB9AKMT2A
SCHEMBL5348981 0.82 EPHX2 (0.53) EPHX2EPHX1HPGDRAB9AKMT2A
SCHEMBL5340392 0.82 EPHX2 (0.53) EPHX2EPHX1HPGDRAB9AKMT2A
SCHEMBL6076703 0.82 EPHX2 (0.54) EPHX2EPHX1HPGDRAB9AKMT2A
SCHEMBL5340503 0.81 EPHX2 (0.53) EPHX2EPHX1HPGDTSHRRAB9A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6872851-B1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LES LABORATORIES SERVIER (FR) 2005-03-29 US claimed
EP-1077927-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 2001-02-28 EP claimed
WO-1999058495-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1999-11-18 WO claimed
US-7126012-B2 Substituted cyclic compounds LES LABORATOIRES SERVIER (FR) 2006-10-24 US disclosed
US-7115752-B2 Substituted cyclic compounds LES LABORATOIRES SERVIER (FR) 2006-10-03 US disclosed
US-20050124682-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-06-09 US disclosed
US-6872851-B1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LES LABORATORIES SERVIER (FR) 2005-03-29 US disclosed
US-20050059729-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-03-17 US disclosed
EP-0843666-B1 4-SUBSTITUTED 5-POLYCYCLYLPYRIMIDINE HERBICIDES DOW AGROSCIENCES LLC (US) 2001-05-16 EP disclosed
EP-1077927-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 2001-02-28 EP disclosed
WO-1999058495-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1999-11-18 WO 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 (2 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-20050059729-A1 Substituted cyclic compounds CCNY, CCNT2, TECR EPHX2 367/4885EPHX1 613/4885HPGD 2419/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR EPHX2 367/4885EPHX1 613/4885HPGD 2419/4885

“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.