SCHEMBL6075864

SCHEMBL6075864

O=C(NCC1=COc2ccc(O)cc2O1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
USP2 O75604 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MTNR1A P48039 3/20 0.36
MTNR1B P49286 2/20 0.35
KDM4E B2RXH2 3/20 0.34
ALOX15 P16050 1/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL7018275 0.94 ERCC1 (0.45) SPRKMT2APOLBERCC1ERCC4
SCHEMBL7198759 0.83 MTNR1A (0.52) ALDH1A1MTNR1AMTNR1BKDM4EHSD17B10
SCHEMBL7021029 0.81 MTNR1A (0.51) SPRKMT2AALDH1A1HPGDMTNR1A
SCHEMBL7021424 0.78 MTNR1A (0.48) KMT2AALDH1A1MTNR1AMTNR1BKDM4E
SCHEMBL7098613 0.76 MTNR1A (0.40) ALDH1A1USP2MTNR1A
SCHEMBL6076107 0.76 KMT2A (0.32) KMT2APOLBERCC1ERCC4ALDH1A1
SCHEMBL7013756 0.73 ENPP3 (0.39) ERCC1ERCC4ALDH1A1HPGDUSP2
SCHEMBL8116979 0.72 CAMK2A (0.39) ALDH1A1HPGDMTNR1AGLA
SCHEMBL7204668 0.71 MTNR1A (0.67) KMT2APOLBMTNR1AMTNR1B
SCHEMBL28472104 0.68 ALDH1A1 (0.62) KMT2APOLBERCC1ERCC4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 SPR 843/4885KMT2A 1322/4885POLB 1154/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR SPR 843/4885KMT2A 1322/4885POLB 1154/4885

“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.