Sugi Predict

Sugi Predict / Compounds / Octaverine

Octaverine

Octaverine

SCHEMBL25619

CCOc1cc(-c2nccc3cc(OC)c(OC)cc23)cc(OCC)c1OCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 1.00
▸ KMT2A Q03164 2/20 1.00
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 6/20 0.46
▸ MAPT P10636 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ CYP3A4 P08684 4/20 0.45
▸ MAPK1 P28482 4/20 0.45
▸ LMNA P02545 3/20 0.45
▸ PDE3A Q14432 3/20 0.45
▸ PDE10A Q9Y233 3/20 0.45
▸ USP2 O75604 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ PDE4A P27815 2/20 0.45
▸ KCNH2 Q12809 2/20 0.45
▸ PDE3B Q13370 2/20 0.45

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
Octaverine SCHEMBL29706512 1.00 MEN1 (1.00) MEN1KMT2ARAB9ASMN1; SMN2MAPT
Octaverine SCHEMBL7346098 0.99 MEN1 (0.97) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL2459066 0.80 MEN1 (0.67) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL2460475 0.80 MEN1 (0.66) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL21951889 0.80 MEN1 (0.66) MEN1KMT2ASMN1; SMN2MAPTGAA
Hydrochloric Acid SCHEMBL7343358 0.80 KMT2A (0.66) MEN1KMT2ARAB9ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL1022954 0.79 MEN1 (0.64) MEN1KMT2ARAB9ASMN1; SMN2MAPT
Bromide SCHEMBL8002743 0.76 MEN1 (0.60) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL21951890 0.75 MEN1 (0.60) MEN1KMT2ARAB9ALMNAUSP2
SCHEMBL21951888 0.74 KMT2A (0.59) MEN1KMT2ARAB9AMAPTTDP1

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 580 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114874152-A Octylene benzoxazole sulfonamide derivative, intermediate, preparation method and application thereof 西南大学 2022-08-09 — — CN claimed
WO-2021054927-A2 GLUTATHIONE-CHOLESTEROL DERIVATIVES AS BRAIN TARGETING AGENTS SOUTH DAKOTA BOARD OF REGENTS (US) 2021-03-25 — — WO claimed
US-20200048305-A1 GLUTATHIONE-CHOLESTEROL DERIVATIVES AS BRAIN TARGETING AGENTS SOUTH DAKOTA BOARD OF REGENTS (US) 2020-02-13 — — US claimed
US-9622969-B2 Polymer conjugated protein micelles SOUTH DAKOTA STATE UNIV (US) 2017-04-18 — — US claimed
US-9016221-B2 Surface topographies for non-toxic bioadhesion control UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-04-28 — — US claimed
US-20140370110-A1 POLYMER CONJUGATED PROTEIN MICELLES SOUTH DAKOTA STATE UNIVERSITY (US) 2014-12-18 — — US claimed
CN-104136449-A Preparation of heteroleptic metal complexes SOLVAY 2014-11-05 — — CN claimed
CN-103298822-A Preparation of a fac-isomer for a tris homoleptic metal complex SOLVAY 2013-09-11 — — CN claimed
US-20100226943-A1 SURFACE TOPOGRAPHIES FOR NON-TOXIC BIOADHESION CONTROL UNIVERSITY OF FLORIDA (US) 2010-09-09 — — US claimed
EP-1879578-A4 METHODS AND COMPOSITIONS FOR THE TREATMENT OF URINARY INCONTINENCE DOV PHARMACEUTICAL INC (US) 2009-05-13 — — EP claimed
CN-101330905-A Freeze-drying process and products obtained thereby SCIDOSE LLC (US) 2008-12-24 — — CN claimed
EP-1954244-A1 LYOPHILIZATION PROCESS AND PRODUCTS OBTAINED THEREBY Scidose, Llc (US) 2008-08-13 — — EP claimed
EP-1879578-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF URINARY INCONTINENCE DOV Pharmaceutical Inc. (US) 2008-01-23 — — EP claimed
WO-2007061529-A1 LYOPHILIZATION PROCESS AND PRODUCTS OBTAINED THEREBY SCIDOSE LLC. (US) 2007-05-31 — — WO claimed
US-20070116729-A1 Lyophilization process and products obtained thereby SCIDOSE LLC 2007-05-24 — — US claimed
WO-2006102029-A9 METHODS AND COMPOSITIONS FOR THE TREATMENT OF URINARY INCONTINENCE DOV PHARMACEUTICAL INC (US) 2006-12-07 — — WO claimed
WO-2006102029-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF URINARY INCONTINENCE DOV PHARMACEUTICAL, INC. (US) 2006-09-28 — — WO claimed
CN-1294519-A Pharmaceutical composition containing a compound having an activity of promoting the absorption of an active ingredient INPHARMA SA (CH) 2001-05-09 — — CN claimed
EP-1073470-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2001-02-07 — — EP claimed
WO-2000048636-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2000-08-24 — — WO claimed

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-20200048305-A1 GLUTATHIONE-CHOLESTEROL DERIVATIVES AS BRAIN TARGETING AGENTS GSTK1, GSTO1, GSTM2 MEN1 1607/4885KMT2A 3630/4885RAB9A 1626/4885
US-20140370110-A1 POLYMER CONJUGATED PROTEIN MICELLES MTDH, PSMG3, GHITM MEN1 906/4885KMT2A 3102/4885RAB9A 3549/4885

“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.