Sugi Predict

Sugi Predict / Compounds / SCHEMBL6068636

SCHEMBL6068636

SCHEMBL6068636

CCOC(=O)c1ccc(C2=CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.51
▸ CA1 P00915 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ CA7 P43166 2/20 0.51
▸ CA9 Q16790 2/20 0.51
▸ CA14 Q9ULX7 2/20 0.51
▸ ESR1 P03372 1/20 0.51
▸ ESR2 Q92731 1/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ HPGD P15428 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ CYP1A2 P05177 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MAOA P21397 1/20 0.50
▸ RAB9A P51151 8/20 0.47
▸ NPC1 O15118 6/20 0.47
▸ MAPT P10636 3/20 0.47
▸ KMT2A Q03164 2/20 0.47

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
SCHEMBL2944680 0.83 ALDH1A1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL11833452 0.82 HPGD (0.40) SMN1; SMN2ALDH1A1HPGDLMNAALOX12
SCHEMBL2949295 0.81 ALDH1A1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL2950950 0.81 ALDH1A1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL2949298 0.81 ALDH1A1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL25437291 0.81 SMN1; SMN2 (0.50) CA12CA1CA2CA7CA9
SCHEMBL11856441 0.81 CYP4Z1 (0.45) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL5386423 0.80 GALR1 (0.53) SMN1; SMN2ALDH1A1HPGDRAB9ANPC1
SCHEMBL11855987 0.80 SMN1; SMN2 (0.51) SMN1; SMN2HPGDMAPTKMT2AACMSD
SCHEMBL11856221 0.78 HDAC1 (0.42) ALDH1A1JAK2JAK3ACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029979-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2009-01-29 — — US disclosed
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 (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-20090029979-A1 5-HTX MODULATORS HTR7, HTR5A, HTR2C CA12 4877/4885CA1 4607/4885CA2 4491/4885
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.