Decane

Decane

SCHEMBL5040348

CCCCCCCCCC.O=S(=O)(Cl)Cl

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
THRB P10828 1/20 0.57
FAAH O00519 2/20 0.52
ALDH1A1 P00352 2/20 0.50
CA2 P00918 10/20 0.46
CA1 P00915 8/20 0.46
CA9 Q16790 7/20 0.46
CA12 O43570 3/20 0.46
CA7 P43166 3/20 0.46
CA14 Q9ULX7 3/20 0.46
CA3 P07451 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
PPARA Q07869 2/20 0.46

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
Heptane SCHEMBL5040464 1.00 TSHR (0.57) TSHRTHRBFAAHALDH1A1CA2
Pentadecane SCHEMBL28155224 1.00 TSHR (0.57) TSHRTHRBFAAHALDH1A1CA2
Nonane SCHEMBL6130063 1.00 TSHR (0.57) TSHRTHRBFAAHALDH1A1CA2
Tridecane SCHEMBL11411803 1.00 TSHR (0.57) TSHRTHRBFAAHALDH1A1CA2
Decane SCHEMBL11411799 1.00 TSHR (0.57) TSHRTHRBFAAHALDH1A1CA2
Dodecane SCHEMBL5440620 1.00 TSHR (0.57) TSHRTHRBFAAHALDH1A1CA2
Hexadecane SCHEMBL2406023 1.00 TSHR (0.57) TSHRTHRBFAAHALDH1A1CA2
Decane SCHEMBL9501386 1.00 TSHR (0.57) TSHRTHRBFAAHALDH1A1CA2
Octane SCHEMBL569265 1.00 TSHR (0.57) TSHRTHRBFAAHALDH1A1CA2
Hexane SCHEMBL1937959 0.96 TSHR (0.50) TSHRTHRBFAAHALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263730-B1 AMINE DERIVATIVES FOR THE TREATMENT OF APOPTOSIS SERONO LAB (CH) 2008-01-09 EP disclosed
CN-1268609-C Method for making alkanesulphonyl chlorides ATOFINA (FR) 2006-08-09 CN disclosed
EP-1299402-A4 PROCESS FOR THE PREPARATION OF HIGHER-ALKANE SULFONYL HALIDES CHEVRON PHILLIPS CHEMICAL CO (US) 2005-09-28 EP disclosed
US-6770656-B2 NEURODEGENERATIVE DISORDERS; ANTIEPILEPTIC AND ANTIISCHEMIC AGENTS; INFERTILITY, CARDIOVASCULAR DISORDERS, RENAL HYPOXIA, HEPATITIS AND AIDS TREATMENT APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2004-08-03 US disclosed
CN-1474807-A Process for the manufacture of alkanesulphonyl chlorides ���з��ɹ�˾ 2004-02-11 CN disclosed
US-20030216427-A1 Amine derivatives for the treatment of apoptosis MERCK SERONO SA (CH) 2003-11-20 US disclosed
EP-1299402-A1 PROCESS FOR THE PREPARATION OF HIGHER-ALKANE SULFONYL HALIDES Philips Petroleum Company (US) 2003-04-09 EP disclosed
EP-1263730-A1 AMINE DERIVATIVES FOR THE TREATMENT OF APOPTOSIS Applied Research Systems ARS Holding N.V. (AN) 2002-12-11 EP disclosed
US-6441229-B1 REACTING A SULFUR COMPOUND AND HALOGEN COMPOUND IN PRESENCE OF PHASE TRANSFER COMPOUND PHILLIPS PETROLEUM COMPANY 2002-08-27 US disclosed
WO-2002000671-A1 PROCESS FOR THE PREPARATION OF HIGHER-ALKANE SULFONYL HALIDES PHILIPS PETROLEUM COMPANY (US) 2002-01-03 WO disclosed
WO-2001060798-A1 AMINE DERIVATIVES FOR THE TREATMENT OF APOPTOSIS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-08-23 WO disclosed
EP-0805159-A1 Phosphorus containing alkyl or arylsulphonyl derivatives and method for preparing same Cytec Canada Inc. (CA) 1997-11-05 EP disclosed
US-4835312-A Production process of N-substituted amide compounds MITSUI CHEMICALS, INCORPORATED (JP) 1989-05-30 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-20030216427-A1 Amine derivatives for the treatment of apoptosis BAD, BAX, BCL2 TSHR 3662/4885THRB 2045/4885FAAH 2592/4885

“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.