Sugi Predict

Sugi Predict / Compounds / Allylbenzene

Allylbenzene

Allylbenzene

SCHEMBL22207889

C=CCc1ccccc1.NO

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ XDH P47989 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ ARG2 P78540 1/20 0.45
▸ CNR2 P34972 2/20 0.43
▸ AKR1B1 P15121 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH2 P05091 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ GABRA1 P14867 1/20 0.43

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
Allylbenzene SCHEMBL27636637 0.95 MAOB (0.57) MAOBALDH1A1TSHRSMN1; SMN2XDH
Allylbenzene SCHEMBL318129 0.95 MAOB (0.57) MAOBALDH1A1TSHRSMN1; SMN2XDH
Allylbenzene SCHEMBL21274 0.92 — —
Allylbenzene SCHEMBL2478260 0.92 MAOB (0.60) MAOBALDH1A1TSHRSMN1; SMN2XDH
Allylbenzene SCHEMBL10325179 0.92 MAOB (0.60) MAOBALDH1A1TSHRSMN1; SMN2XDH
Allylbenzene SCHEMBL11127861 0.90 MAOB (0.52) MAOBALDH1A1TSHRSMN1; SMN2XDH
Allylbenzene SCHEMBL27581309 0.90 MAOB (0.52) MAOBALDH1A1TSHRSMN1; SMN2XDH
Allylbenzene SCHEMBL28158666 0.90 MAOB (0.52) MAOBALDH1A1TSHRSMN1; SMN2XDH
Allylbenzene SCHEMBL8622536 0.90 MAOB (0.52) MAOBALDH1A1TSHRSMN1; SMN2XDH
Allylbenzene SCHEMBL27379989 0.90 MAOB (0.52) MAOBALDH1A1TSHRSMN1; SMN2XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384145-A1 PHARMACEUTICAL COMPOSITIONS AND ORAL DOSAGE FORMS OF KETAMINE DERIVATIVES XWPharma Ltd. (KY) 2024-06-19 — — EP disclosed
EP-4363573-A1 METHODS AND REAGENTS FOR ANALYZING NUCLEIC ACIDS CUBIT DIAGNOSTICS, INC. (US) 2024-05-08 — — EP disclosed
CN-117881394-A Pharmaceutical composition and oral dosage form of ketamine derivative 凯瑞康宁生物工程（武汉）有限公司 2024-04-12 — — CN disclosed
WO-2024047156-A1 PROCESS FOR PRODUCING BIOGENIC CRYSTALS OF CALCIUM CARBONATE UNIVERSITE DU LUXEMBOURG (LU) 2024-03-07 — — WO disclosed
WO-2023181035-A1 HIGH MOLECULAR WEIGHT AND HIGHLY FUNCTIONAL VINYLIDENE FLUORIDE (VDF) BASED COPOLYMERS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2023-09-28 — — WO disclosed
US-20230285325-A1 PHARMACEUTICAL COMPOSITIONS AND ORAL DOSAGE FORMS OF KETAMINE DERIVATIVES XWPharma Ltd. (KY) 2023-09-14 — — US disclosed
EP-4225036-A1 ANTI-VIRAL CLEANING COMPOSITION, METHOD OF MAKING AND USE THEREOF Morehouse School of Medicine (US) 2023-08-16 — — EP disclosed
US-20230212624-A1 METHOD FOR PURIFYING (-)-AMBROX GIVAUDAN SA (CH) 2023-07-06 — — US disclosed
US-11690811-B2 Pharmaceutical compositions and oral dosage forms of ketamine derivatives XWPharma Ltd. (KY) 2023-07-04 — — US disclosed
EP-4188916-A1 METHOD FOR PURIFYING (-)-AMBROX Givaudan SA (CH) 2023-06-07 — — EP disclosed
EP-4114476-A1 A METHOD FOR PRODUCING A DECELLULARIZED TISSUE SCAFFOLD Tissue Regenix Limited (GB) 2023-01-11 — — EP disclosed
WO-2023278678-A1 METHODS AND REAGENTS FOR ANALYZING NUCLEIC ACIDS ARETE BIOSCIENCES, LLC (US) 2023-01-05 — — WO disclosed
US-11485939-B2 Anti-viral cleaning composition, method of making and use thereof INNOVATIVE ENVIRONMENTAL COMPANIES 2022-11-01 — — US disclosed
US-20220118035-A1 PHARMACEUTICAL DELIVERY COMPOSITIONS AND USES THEREOF INNOVACORIUM, INC. (US) 2022-04-21 — — US disclosed
WO-2022023464-A1 METHOD FOR PURIFYING (-)-AMBROX GIVAUDAN SA (CH) 2022-02-03 — — WO disclosed
EP-3908251-A1 PHARMACEUTICAL DELIVERY COMPOSITIONS AND USES THEREOF Innovacorium, Inc. (US) 2021-11-17 — — EP disclosed
WO-2021146301-A1 SYNTHESIS OF CROSS-LINKED SPHERICAL POLYCATIONIC BEAD ADSORBENTS FOR HEPARIN RECOVERY CORNELL UNIVERSITY (US) 2021-07-22 — — WO disclosed
WO-2021072255-A1 LIGHT ACTIVATED NANOPARTICLE COMPOSITIONS AND USES THEREOF MOLECULAR EXPRESS, INC. (US) 2021-04-15 — — WO disclosed
US-20210032576-A1 ANTI-VIRAL CLEANING COMPOSITION, METHOD OF MAKING AND USE THEREOF MOREHOUSE SCHOOL OF MEDICINE 2021-02-04 — — US disclosed
WO-2020146752-A1 PHARMACEUTICAL DELIVERY COMPOSITIONS AND USES THEREOF INNOVACORIUM, INC. (US) 2020-07-16 — — 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-11690811-B2 Pharmaceutical compositions and oral dosage forms of ketamine derivatives OPRK1, KCNK5, KCNK17 MAOB 316/4885ALDH1A1 2360/4885TSHR 3774/4885
US-20230285325-A1 PHARMACEUTICAL COMPOSITIONS AND ORAL DOSAGE FORMS OF KETAMINE DERIVATIVES OPRK1, KCNK5, KCNK17 MAOB 316/4885ALDH1A1 2360/4885TSHR 3774/4885

“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.