SCHEMBL158607

SCHEMBL158607

CCCCCCCCCC[N+](CCCC)(CCCC)CCCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC22A1 O15245 3/20 0.93
▸ ALDH1A1 P00352 1/20 0.87
▸ TP53 P04637 1/20 0.87
▸ CYP3A4 P08684 1/20 0.87
▸ ALOX15 P16050 1/20 0.87
▸ TSHR P16473 1/20 0.87
▸ ALOX12 P18054 1/20 0.87
▸ SMN1; SMN2 Q16637 1/20 0.87
▸ HIF1A Q16665 1/20 0.87
▸ HSD17B10 Q99714 1/20 0.87
▸ SLC22A2 O15244 1/20 0.86
▸ DNM1 Q05193 8/20 0.77

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
SCHEMBL4059060 1.00 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL70748 1.00 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL13567361 1.00 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL1060273 1.00 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15
Tetrahexylammonium SCHEMBL2521928 1.00 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL332137 1.00 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL1065743 1.00 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL4059099 1.00 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL1009645 1.00 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL4685770 1.00 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736130-B1 A METHOD FOR INHIBITING THE PLUGGING OF CONDUITS BY GAS HYDRATES SHELL INT RESEARCH (NL) 1998-07-15 — — EP claimed
US-5648575-A Method for inhibiting the plugging of conduits by gas hydrates SHELL OIL COMPANY (US) 1997-07-15 — — US claimed
EP-0736130-A1 A METHOD FOR INHIBITING THE PLUGGING OF CONDUITS BY GAS HYDRATES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1996-10-09 — — EP claimed
US-5460728-A Using quaternary ammonium compound as inhibitor of hydrate formation SHELL OIL COMPANY (US) 1995-10-24 — — US claimed
WO-1995017579-A1 A METHOD FOR INHIBITING THE PLUGGING OF CONDUITS BY GAS HYDRATES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1995-06-29 — — WO claimed
US-20250312360-A1 MITOCHONDRIAL ANTIOXIDANT TREATMENT FOR CASK-LINKED NEURODEVELOPMENTAL DISORDERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2025-10-09 — — US disclosed
US-20250312730-A1 ACIDIC GAS ABSORBENTS COMPRISING IONIC LIQUIDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2025-10-09 — — US disclosed
US-20250122323-A1 ONIUM SALT, BLOCKING AGENT DISSOCIATION CATALYST FOR BLOCKED ISOCYANATE, BLOCKED ISOCYANTE COMPOSITION INCLUDING BLOCKING AGENT DISSOCIATION CATALYST, THERMOSETTING RESIN COMPOSITION, AND CURED PRODUCT AND MANUFACTURING METHOD THEREFOR KOEI CHEMICAL COMPANY, LIMITED (JP) 2025-04-17 — — US disclosed
EP-4514528-A1 ACIDIC GAS ABSORBENTS COMPRISING IONIC LIQUIDS Commonwealth Scientific and Industrial Research Organisation (AU) 2025-03-05 — — EP disclosed
CN-117813334-A Onium salt, blocking agent dissociation catalyst for blocking isocyanate, blocked isocyanate composition containing blocking agent dissociation catalyst, thermosetting resin composition, cured product, and method for producing same 广荣化学株式会社 2024-04-02 — — CN disclosed
WO-2023220365-A1 MITOCHONDRIAL ANTIOXIDANT TREATMENT FOR CASK-LINKED NEURODEVELOPMENTAL DISORDERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2023-11-16 — — WO disclosed
WO-2023205851-A1 ACIDIC GAS ABSORBENTS COMPRISING IONIC LIQUIDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2023-11-02 — — WO disclosed
WO-2002066785-A1 COMPOSITION AND METHOD FOR INHIBITION OF FORMATION OF GAS HYDRATES BAKER HUGHES INCORPORATED (US) 2002-08-29 — — WO disclosed
US-20020038063-A1 Composition and method for inhibition of formation of gas hydrates BAKER HUGHES INCORPORATED 2002-03-28 — — US disclosed
US-6080858-A Process for reacting fluorine-substituted heterocycles with amines in the presence of phase transfer catalysts DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2000-06-27 — — US disclosed
EP-0736130-B1 A METHOD FOR INHIBITING THE PLUGGING OF CONDUITS BY GAS HYDRATES SHELL INT RESEARCH (NL) 1998-07-15 — — EP disclosed
US-5739400-A Preparation of O-(2-hydroxyalkyl)oximes BASF AKTIENGESELLSCHAFT (DE) 1998-04-14 — — US disclosed
EP-0736130-A1 A METHOD FOR INHIBITING THE PLUGGING OF CONDUITS BY GAS HYDRATES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1996-10-09 — — EP disclosed
US-5460728-A Using quaternary ammonium compound as inhibitor of hydrate formation SHELL OIL COMPANY (US) 1995-10-24 — — US disclosed
WO-1995017579-A1 A METHOD FOR INHIBITING THE PLUGGING OF CONDUITS BY GAS HYDRATES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1995-06-29 — — 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-20020038063-A1 Composition and method for inhibition of formation of gas hydrates HDHD5, SHH, NOTUM SLC22A1 2116/4885ALDH1A1 4272/4885TP53 2953/4885
US-20250122323-A1 ONIUM SALT, BLOCKING AGENT DISSOCIATION CATALYST FOR BLOCKED ISOCYANATE, BLOCKED ISOCYANTE COMPOSITION INCLUDING BLOCKING AGENT DISSOCIATION CATALYST, THERMOSETTING RESIN COMPOSITION, AND CURED PRODUCT AND MANUFACTURING METHOD THEREFOR KDM2B, O60361, IDH3B SLC22A1 4626/4885ALDH1A1 1023/4885TP53 4345/4885

“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.

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