SCHEMBL361099

SCHEMBL361099

C=CC[N+](CC)(CC)CC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
NFKB1 P19838 1/20 0.44
KCNA1 Q09470 1/20 0.44
KDM4E B2RXH2 1/20 0.41
PMP22 Q01453 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 2/20 0.32
TRPA1 O75762 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX5 P09917 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
Water SCHEMBL10380838 0.97 TSHR (0.41) TSHRNFKB1KCNA1KDM4EPMP22
Iodide SCHEMBL28946740 0.97 TSHR (0.41) TSHRNFKB1KCNA1KDM4EPMP22
Hydrochloric Acid SCHEMBL1311617 0.97 KDM4E (0.47) TSHRNFKB1KCNA1KDM4EPMP22
Fluoride Ion SCHEMBL5162762 0.97 TSHR (0.41) TSHRNFKB1KCNA1KDM4EPMP22
Bromide SCHEMBL970342 0.97 TSHR (0.41) TSHRNFKB1KCNA1KDM4EPMP22
SCHEMBL28801508 0.94 TSHR (0.39) TSHRNFKB1KCNA1KDM4EPMP22
SCHEMBL133755 0.93 TSHR (0.44) TSHRNFKB1KCNA1KDM4EPMP22
SCHEMBL361435 0.93 TSHR (0.44) TSHRNFKB1KCNA1KDM4EPMP22
Bromide SCHEMBL29155444 0.91 TSHR (0.37) TSHRNFKB1KCNA1KDM4EPMP22
Hydrochloric Acid SCHEMBL23277158 0.90 KDM4E (0.47) TSHRNFKB1KCNA1KDM4EPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118315660-A Silicon-carbon system lithium ion battery electrolyte additive, electrolyte and lithium ion battery 宝山钢铁股份有限公司 2024-07-09 CN claimed
CN-118022788-A Preparation method and application of biomass carbon coated heteropolyacid hydrogen salt catalyst 西北大学 2024-05-14 CN claimed
CN-115041220-B USY molecular sieve composite material wrapped by high-activity mesoporous material, and preparation method and application thereof 润和科华催化剂(上海)有限公司 2023-10-27 CN claimed
CN-114380699-B Method for synthesizing isophorone diamine, catalyst and preparation method thereof 山东新和成维生素有限公司 2023-07-04 CN claimed
CN-113603580-B Method for synthesizing methacrylic acid by decarboxylation of itaconic acid 河北工业大学 2023-05-26 CN claimed
CN-115041220-A USY molecular sieve composite material wrapped by high-activity mesoporous material and preparation method and application thereof 润和科华催化剂(上海)有限公司 2022-09-13 CN claimed
CN-114380699-A Method for synthesizing isophorone diamine, catalyst and preparation method thereof 山东新和成维生素有限公司 2022-04-22 CN claimed
CN-114381245-A Synthesis of hyperbranched polyquaternary ammonium salt amino acid intercalation inhibitor and water-based drilling fluid 西南石油大学 2022-04-22 CN claimed
CN-113603580-A Method for synthesizing methacrylic acid by decarboxylation of itaconic acid 河北工业大学 2021-11-05 CN claimed
US-10179832-B2 Storage stable heat activated quaternary ammonium catalysts for epoxy cure HENKEL AG & CO. KGAA (DE) 2019-01-15 US claimed
WO-2005005345-A2 USE OF FUNCTIONALIZED ONIUM SALTS AS A SOLUBLE SUPPORT FOR ORGANIC SYNTHESIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2005-01-20 WO claimed
EP-0999839-B1 COMPOSITIONS, KITS, AND METHODS FOR INHIBITING CEREBRAL NEUROVASCULAR DISORDERS AND MUSCULAR HEADACHES LEVIN BRUCE H (US) 2004-06-23 EP claimed
WO-2004029004-A1 COMPOSITIONS CONTAINING IONIC LIQUIDS AND USES THEREOF, ESPECIALLY IN ORGANIC SYNTHESIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2004-04-08 WO claimed
US-6432986-B2 INTRANOSALLY ADMINISTERING OF ANESTHETICS BHL PATENT HOLDINGS LLC 2002-08-13 US claimed
US-20010055607-A1 COMPOSITIONS, KITS, AND METHODS FOR INHIBITING CEREBRAL NEUROVASCULAR DISORDERS AND MUSCULAR HEADACHES BHL PATENT HOLDINGS LLC 2001-12-27 US claimed
WO-2001043733-A2 COMPOSITIONS, KITS, APPARATUS, AND METHODS FOR INHIBITING CEPHALIC INFLAMMATION LEVIN BRUCE H (US) 2001-06-21 WO claimed
US-20010004644-A1 Compositions, kits, apparatus, and methods for inhibiting cephalic inflammation LEVIN BRUCE H (US) 2001-06-21 US claimed
EP-0066619-A1 METHOD FOR PROVIDING LONG-LASTING LOCAL ANESTHESIA AND COMPOUNDS AND COMPOSITIONS THEREFOR VIRGINIA MASON RESEARCH CENTER (US) 1982-12-15 EP claimed
US-4352820-A N,N,N-TRIETHYL-N-ALKYL QUATERNARY AMMONIUM SALT VIRGINIA MASON RESEARCH CENTER (US) 1982-10-05 US claimed
WO-1982002041-A1 METHOD FOR PROVIDING LONG-LASTING LOCAL ANESTHESIA AND COMPOUNDS AND COMPOSITIONS THEREFORE VIRGINIA MASON RES CENTER (US) 1982-06-24 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-20010055607-A1 COMPOSITIONS, KITS, AND METHODS FOR INHIBITING CEREBRAL NEUROVASCULAR DISORDERS AND MUSCULAR HEADACHES TNNC1, KIT, PDE3A TSHR 4600/4885NFKB1 2125/4885KCNA1 70/4885
US-20010004644-A1 Compositions, kits, apparatus, and methods for inhibiting cephalic inflammation CXCR5, CCL5, C5AR2 TSHR 4356/4885NFKB1 146/4885KCNA1 2223/4885

“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.