SCHEMBL6068865

SCHEMBL6068865

COC(=O)c1ccc(C2=CC(C)(C)CC(C)(C)C2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
XDH P47989 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 3/20 0.38
PTPRC P08575 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 5/20 0.37
LMNA P02545 2/20 0.37
SLC2A1 P11166 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.36

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
SCHEMBL6068776 0.85 KDM4E (0.43) KDM4ETDP1ALDH1A1NPC1RAB9A
SCHEMBL2498880 0.78 CA1 (0.37) CA1CA2CA7CA9KDM4E
SCHEMBL5053433 0.76 ALDH1A1 (0.43) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL16937873 0.75 TDP1 (0.57) CA12CA1CA2CA7XDH
SCHEMBL16318007 0.75 CA12 (0.36) CA12CA1CA2CA7XDH
SCHEMBL14950619 0.72 TDP1 (0.53) CA12CA1CA2CA7XDH
SCHEMBL14950616 0.72 TDP1 (0.53) CA12CA1CA2CA7XDH
SCHEMBL4950570 0.70 CA12 (0.41) CA12CA1CA2CA7XDH
SCHEMBL28255681 0.70 SLC2A1 (0.63) CA12CA1CA2CA7XDH
SCHEMBL28268790 0.70 KDM4E (0.54) CA12CA1CA2CA7XDH

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 CA12 3782/4885CA1 2054/4885CA2 3247/4885

“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.