Pentane

Pentane

SCHEMBL29587231

CCCCC.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.57
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
FAAH O00519 5/20 0.36
PTPN11 Q06124 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
CES1 P23141 5/20 0.34
CES2 O00748 2/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
Dodecane SCHEMBL30193423 0.93 EPHX1 (0.67) EPHX1FAAHCES1CES2
Nonane SCHEMBL30193525 0.93 EPHX1 (0.67) EPHX1FAAHCES1CES2
Butane SCHEMBL29598328 0.90 EPHX1 (0.50) EPHX1CA1CA2CA7PTPN11
Butane SCHEMBL30418608 0.90 EPHX1 (0.50) EPHX1CA1CA2CA7PTPN11
SCHEMBL29615765 0.85 EPHX1 (0.48) EPHX1CA1CA2CA12CA7
SCHEMBL29489328 0.85 EPHX1 (0.48) EPHX1CA1CA2CA12CA7
Tetrabuthylammonium SCHEMBL31550869 0.85 EPHX1 (0.53) EPHX1FAAHTSHRSMN1; SMN2
SCHEMBL21331448 0.83 EPHX1 (0.47) EPHX1CA1CA2CA12CA7
SCHEMBL12386312 0.82 EPHX1 (0.50) EPHX1CA1CA2CA12CA7
SCHEMBL303834 0.82 EPHX1 (0.55) EPHX1TSHRSMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240301317-A1 METHOD FOR SEPARATING AND QUANTIFYING SATURATED AND UNSATURATED DIALKYL KETONES FUJI OIL HOLDINGS INC. (JP) 2024-09-12 US disclosed
US-12000809-B2 Zwitterionic compounds as gas chromatographic column stationary phases IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2024-06-04 US disclosed
EP-4368690-A1 METHOD FOR SEPARATING AND QUANTIFYING SATURATED AND UNSATURATED DIALKYL KETONES Fuji Oil Holdings Inc. (JP) 2024-05-15 EP disclosed
WO-2023282169-A1 METHOD FOR SEPARATING AND QUANTIFYING SATURATED AND UNSATURATED DIALKYL KETONES 不二製油グループ本社株式会社 2023-01-12 WO disclosed
US-20220268746-A1 ZWITTERIONIC COMPOUNDS AS GAS CHROMATOGRAPHIC COLUMN STATIONARY PHASES IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2022-08-25 US disclosed
US-11353435-B2 Zwitterionic compounds as gas chromatographic column stationary phases IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2022-06-07 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 (3 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-20220268746-A1 ZWITTERIONIC COMPOUNDS AS GAS CHROMATOGRAPHIC COLUMN STATIONARY PHASES GCG, ZW10, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 EPHX1 2178/4885CA1 288/4885CA2 574/4885
US-12000809-B2 Zwitterionic compounds as gas chromatographic column stationary phases GCG, ZW10, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 EPHX1 2178/4885CA1 288/4885CA2 574/4885
US-11353435-B2 Zwitterionic compounds as gas chromatographic column stationary phases GCG, ZW10, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 EPHX1 2178/4885CA1 288/4885CA2 574/4885

“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.