SCHEMBL3789647

SCHEMBL3789647

CCC[N+]([O-])(CCC)CCC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 4/20 0.47
LSS P48449 1/20 0.38
SLC22A2 O15244 1/20 0.33
DNM1 Q05193 2/20 0.32
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 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
Cyclohexane SCHEMBL27458864 0.89 SLC22A1 (0.39) SLC22A1LSS
SCHEMBL15703827 0.85
SCHEMBL5889383 0.84 DNM1 (0.37) SLC22A1LSSDNM1ALDH1A1CYP3A4
SCHEMBL7868779 0.82 LSS (0.59) SLC22A1LSSSLC22A2DNM1ALDH1A1
SCHEMBL78907 0.82 LSS (0.59) SLC22A1LSSSLC22A2DNM1ALDH1A1
SCHEMBL9224821 0.82 LSS (0.59) SLC22A1LSSSLC22A2DNM1ALDH1A1
SCHEMBL27591 0.82 LSS (0.59) SLC22A1LSSSLC22A2DNM1ALDH1A1
SCHEMBL79732 0.82 LSS (0.59) SLC22A1LSSSLC22A2DNM1ALDH1A1
SCHEMBL10384664 0.82 LSS (0.59) SLC22A1LSSSLC22A2DNM1ALDH1A1
SCHEMBL7875346 0.80 LSS (0.56) SLC22A1LSSSLC22A2DNM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4257625-A1 HCFO-CONTAINING ISOCYANATE-REACTIVE COMPOSITIONS, RELATED FOAM-FORMING COMPOSITIONS AND FOAMS Covestro LLC (US) 2023-10-11 EP claimed
US-20230303757-A1 HCFO-CONTAINING ISOCYANATE-REACTIVE COMPOSITIONS, RELATED FOAM-FORMING COMPOSITIONS AND FOAMS COVESTRO LLC 2023-09-28 US claimed
WO-2014179673-A1 PROCESSES FOR PURIFYING A CELLULOSIC MATERIAL CELANESE INTERNATIONAL CORPORATION (US) 2014-11-06 WO claimed
US-20140326421-A1 Processes for Purifying a Cellulosic Material CELANESE INTERNATIONAL CORPORATION (US) 2014-11-06 US claimed
US-20070144970-A1 Supported zeolite membranes, their process for production and their applications INSTITUT FRANCAIS DU PETROLE (FR) 2007-06-28 US claimed
US-20060188431-A1 Method for preparing organic ligand-capped titanium dioxide nanocrystals CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2006-08-24 US claimed
US-4430314-A PRESENCE OF 4-PICOLINE-N-OXIDE OR A TRIALKYLAMINE OXIDE MOBIL OIL CORPORATION (US) 1984-02-07 US claimed
US-4335052-A OXIDATION OF CORRESPONDING BENZYL HALIDE WITH TERITARY AMINE OXIDEIN PRESENCE OF WATER DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1982-06-15 US claimed
WO-2025217091-A1 ODORANTS FOR FLUIDS, ODORIZED FLUIDS, METHODS, AND SYSTEMS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2025-10-16 WO disclosed
WO-2025217099-A1 INHIBITORS FOR HYDROGEN EMBRITTLEMENT AND METHODS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2025-10-16 WO disclosed
US-20240034907-A1 POLISHING COMPOSITION, POLISHING METHOD AND METHOD FOR PRODUCING SEMICONDUCTOR SUBSTRATE FUJIMI INCORPORATED (JP) 2024-02-01 US disclosed
EP-4257625-A1 HCFO-CONTAINING ISOCYANATE-REACTIVE COMPOSITIONS, RELATED FOAM-FORMING COMPOSITIONS AND FOAMS Covestro LLC (US) 2023-10-11 EP disclosed
US-20230303757-A1 HCFO-CONTAINING ISOCYANATE-REACTIVE COMPOSITIONS, RELATED FOAM-FORMING COMPOSITIONS AND FOAMS COVESTRO LLC 2023-09-28 US disclosed
US-20220356545-A1 LITHIUM EXTRACTANT COMPOUNDS AND THEIR USE IN SELECTIVE LITHIUM EXTRACTION FROM AQUEOUS SOLUTIONS UT-BATTELLE, LLC 2022-11-10 US disclosed
US-4745229-A OXIDATION, DECHLORINATION KURARAY COMPANY LTD. (JP) 1988-05-17 US disclosed
EP-0234496-A2 Process for preparing alpha, beta-unsaturated aldehydes Kuraray Co., Ltd. (JP) 1987-09-02 EP disclosed
US-4439310-A Petroleum processing with low acidity catalyst MOBIL OIL CORPORATION (US) 1984-03-27 US disclosed
US-4430314-A PRESENCE OF 4-PICOLINE-N-OXIDE OR A TRIALKYLAMINE OXIDE MOBIL OIL CORPORATION (US) 1984-02-07 US disclosed
US-4335052-A OXIDATION OF CORRESPONDING BENZYL HALIDE WITH TERITARY AMINE OXIDEIN PRESENCE OF WATER DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1982-06-15 US disclosed
US-4024165-A OLEFIN, HYDROGEN PEROXIDE, FLUORINATED ALCOHOL SHELL OIL COMPANY (US) 1977-05-17 US 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 (1 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-20220356545-A1 LITHIUM EXTRACTANT COMPOUNDS AND THEIR USE IN SELECTIVE LITHIUM EXTRACTION FROM AQUEOUS SOLUTIONS LBR, NR2C2, OXSR1 SLC22A1 161/4885LSS 525/4885SLC22A2 94/4885

“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.