SCHEMBL6069018

SCHEMBL6069018

Cc1cc(C(=O)O)ccc1C1=CCCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.56
SRD5A1 P18405 4/20 0.56
TTR P02766 2/20 0.42
PPM1G O15355 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN7 P35236 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPRO Q16827 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
PTPRC P08575 2/20 0.41
RARB P10826 2/20 0.41
RARA P10276 1/20 0.41
RARG P13631 1/20 0.41
MITF O75030 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL12364992 0.86 SRD5A2 (0.49) SRD5A2SRD5A1TTRPTPRCRARB
SCHEMBL6068739 0.86 L3MBTL1 (0.42) SRD5A2SRD5A1RAB9AKDM4EALDH1A1
SCHEMBL12365338 0.83 SRD5A2 (0.41) SRD5A2SRD5A1RARBRARARARG
SCHEMBL12365086 0.81 MAPK14 (0.43) SRD5A2SRD5A1KDM4EALDH1A1GAA
SCHEMBL12365698 0.81 SRD5A2 (0.51) SRD5A2SRD5A1TTRHSP90AA1KDM4E
SCHEMBL6628771 0.80 AVPR2 (0.58)
SCHEMBL12365294 0.79 SRD5A2 (0.47) SRD5A2SRD5A1TTRPTPRCRARB
SCHEMBL12365047 0.79 KDM4E (0.46) SRD5A2SRD5A1RAB9AKDM4EALDH1A1
SCHEMBL12365510 0.79 SRD5A2 (0.41) SRD5A2SRD5A1RARBRARARARG
SCHEMBL6069049 0.79 SRD5A2 (0.51) SRD5A2SRD5A1RARBRARARARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022699-B2 Cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators WYETH (US) 2006-04-04 US disclosed
EP-1377584-B1 NOVEL CYCLOHEXENYL PHENYL DIAZEPINES AS VASOPRESSIN AND OXYTOCIN RECEPTOR MODULATORS WYETH CORP (US) 2005-02-16 EP disclosed
EP-1377584-A1 NOVEL CYCLOHEXENYL PHENYL DIAZEPINES AS VASOPRESSIN AND OXYTOCIN RECEPTOR MODULATORS Wyeth (US) 2004-01-07 EP disclosed
US-20020198196-A1 Novel cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators WYETH 2002-12-26 US disclosed
WO-2002083681-A1 NOVEL CYCLOHEXENYL PHENYL DIAZEPINES VASOPRESSIN AND OXYTOCIN RECEPTOR MODULATORS WYETH (US) 2002-10-24 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 (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-20020198196-A1 Novel cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators OXTR, AVPR2, AVPR1B SRD5A2 1171/4885SRD5A1 1127/4885TTR 2480/4885

“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.