Decane

Decane

SCHEMBL170135

CCCCCCC.CCCCCCCCCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 1.00
THRB P10828 1/20 1.00
LMNA P02545 3/20 0.67
DNM1 Q05193 6/20 0.61
ALDH1A1 P00352 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
HSD17B10 Q99714 1/20 0.61
SLC22A1 O15245 1/20 0.61

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
Hexadecane SCHEMBL2039121 1.00 TSHR (1.00) TSHRTHRBLMNADNM1ALDH1A1
Undecane SCHEMBL20767628 1.00 TSHR (1.00) TSHRTHRBLMNADNM1ALDH1A1
Octane SCHEMBL1585515 1.00 TSHR (1.00) TSHRTHRBLMNADNM1ALDH1A1
Dodecane SCHEMBL4052434 1.00 TSHR (1.00) TSHRTHRBLMNADNM1ALDH1A1
Tetradecane SCHEMBL25387874 1.00 TSHR (1.00) TSHRTHRBLMNADNM1ALDH1A1
Hexadecane SCHEMBL23499901 1.00 TSHR (1.00) TSHRTHRBLMNADNM1ALDH1A1
Decane SCHEMBL23499900 1.00 TSHR (1.00) TSHRTHRBLMNADNM1ALDH1A1
Tetradecane SCHEMBL23924271 1.00 TSHR (1.00) TSHRTHRBLMNADNM1ALDH1A1
SCHEMBL23854647 1.00 TSHR (1.00) TSHRTHRBLMNADNM1ALDH1A1
Decane SCHEMBL2999362 1.00 TSHR (1.00) TSHRTHRBLMNADNM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058514-A1 COLD ACTIVE ENZYME AND METHOD THEREOF UNIVERSITY PUTRA MALAYSIA (MY) 2012-03-08 US claimed
CN-116715672-A Trifluoromethyl modified macrocyclic supermolecule main body molecular cup and metal molecular cup, and preparation methods and applications thereof 上海大学 2023-09-08 CN disclosed
US-20210013491-A1 NANOSILICON MATERIAL PREPARATION FOR FUNCTIONALIZED GROUP IVA PARTICLE FRAMEWORKS PARACLETE ENERGY, INC. 2021-01-14 US disclosed
US-20170338476-A1 NANOSILICON MATERIAL PREPARATION FOR FUNCTIONALIZED GROUP IVA PARTICLE FRAMEWORKS PARACLETE ENERGY, INC. 2017-11-23 US disclosed
EP-3108525-A1 NANOSILICON MATERIAL PREPARATION FOR FUNCTIONALIZED GROUP IVA PARTICLE FRAMEWORKS Kratos LLC (US) 2016-12-28 EP disclosed
US-20150263342-A1 NANOSILICON MATERIAL PREPARATION FOR FUNCTIONALIZED GROUP IVA PARTICLE FRAMEWORKS PARACLETE ENERGY, INC. 2015-09-17 US disclosed
US-20150243973-A1 NANOSILICON MATERIAL PREPARATION FOR FUNCTIONALIZED GROUP IVA PARTICLE FRAMEWORKS PARACLETE ENERGY, INC. 2015-08-27 US disclosed
US-8623996-B2 Cold active enzyme and method thereof UNIVERSITY PUTRA MALAYSIA (MY) 2014-01-07 US disclosed
CN-101970541-B Copolymer comprising non-charged hydrophilic block and cationic polyamino acid block having hydrophobic group introduced into part of side chain, and use thereof UNIV TOKYO 2013-12-04 CN disclosed
US-20120058514-A1 COLD ACTIVE ENZYME AND METHOD THEREOF UNIVERSITY PUTRA MALAYSIA (MY) 2012-03-08 US disclosed
CN-101970541-A Copolymer comprising non-charged hydrophilic block and cationic polyamino acid block having hydrophobic group introduced into part of side chain, and use thereof UNIV TOKYO 2011-02-09 CN disclosed
CN-1411902-A Diamond water turbid liquid with good dispersion stabilizing property, metal film containing diamond and its products FUJIMURA TADAMASA (JP) 2003-04-23 CN disclosed
US-6271165-B1 SOLID COORDINATION CATALYST THE DOW CHEMICAL COMPANY 2001-08-07 US disclosed
US-4617057-A AMINOORGANOSILANE, PERFLUORINATED ORGANIC COMPOUND AND RESIN DOW CORNING CORPORATION (US) 1986-10-14 US disclosed
US-4468479-A FLAME RETARDANT, POLYURETHANES, POLYESTERS, FOAMS ETHYL CORPORATION (US) 1984-08-28 US disclosed
US-4285851-A DISSOLVING AN IONOMER COPOLYMER BASED ON AN AMINE-TERMINATED POLYOXYALKYLENE GLYCOL AND SULFONATED ADDITION POLYMER IN A WATER-IMMISCIBLE SOLVENT; ADDING WATER; HIGH SPEED; OIL WELLS EXXON RESEARCH & ENGINEERING CO. (US) 1981-08-25 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-20170338476-A1 NANOSILICON MATERIAL PREPARATION FOR FUNCTIONALIZED GROUP IVA PARTICLE FRAMEWORKS VCL, ANXA6, ITGA6 TSHR 3010/4885THRB 4350/4885LMNA 71/4885
US-20150263342-A1 NANOSILICON MATERIAL PREPARATION FOR FUNCTIONALIZED GROUP IVA PARTICLE FRAMEWORKS VCL, ANXA6, ITGA6 TSHR 3010/4885THRB 4350/4885LMNA 71/4885
US-20210013491-A1 NANOSILICON MATERIAL PREPARATION FOR FUNCTIONALIZED GROUP IVA PARTICLE FRAMEWORKS VCL, ANXA6, ITGA6 TSHR 3010/4885THRB 4350/4885LMNA 71/4885

“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.