Tetradecane

Tetradecane

SCHEMBL318952

CC(C)(C)C(N)O.CCCCCCCCCCCCCC.O=S(=O)(O)O

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Tetradecane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.55
SPHK1 Q9NYA1 2/20 0.42
CA2 P00918 6/20 0.39
CA1 P00915 5/20 0.39
CYP2D6 P10635 2/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
BLM P54132 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CETP P11597 1/20 0.39
HTT P42858 1/20 0.39
UBE2N P61088 1/20 0.39
LAP3 P28838 1/20 0.39
GRIK1 P39086 1/20 0.39

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
Tetradecane SCHEMBL99243 0.84 TP53 (0.68) TP53SPHK1CA2CA1CYP2D6
Sulfuric Acid SCHEMBL19893760 0.82 TP53 (0.60) TP53SPHK1CA2CYP2D6GMNN
Tetradecane SCHEMBL4030208 0.79 TP53 (0.50) TP53CA2CA1EPHX1CA9
Tetradecane SCHEMBL3227803 0.79 TP53 (0.60) TP53SPHK1CA2CA1EPHX1
Heptane SCHEMBL2057219 0.79 TP53 (0.60) TP53SPHK1CA2CA1EPHX1
Tetradecane SCHEMBL28202834 0.78 TP53 (0.58) TP53CA2CA1CA9
Tetradecane SCHEMBL7611438 0.78 TP53 (0.58) TP53CA2CA1CA9
Decane SCHEMBL13275986 0.78 TSHR (0.57) TP53CA2CA1LMNAEPHX1
Decane SCHEMBL13586006 0.78 TSHR (0.57) TP53CA2CA1LMNAEPHX1
Sulfuric Acid SCHEMBL1484174 0.78 TSHR (0.57) TP53CA2CA1LMNAEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11576849-B2 Antimicrobial personal cleansing compositions CONOPCO, INC. (US) 2023-02-14 US disclosed
US-20220226229-A1 PERSONAL CLEANSING COMPOSITIONS CONOPCO, INC., D/B/A UNILEVER 2022-07-21 US disclosed
US-11364188-B2 Antimicrobial personal cleansing compositions CONOPCO, INC. (US) 2022-06-21 US disclosed
EP-3986370-A1 PERSONAL CLEANSING COMPOSITIONS Unilever Global IP Limited (GB) 2022-04-27 EP disclosed
EP-3600560-B1 ANTIMICROBIAL PERSONAL CLEANSING COMPOSITIONS UNILEVER IP HOLDINGS B V (NL) 2021-10-13 EP disclosed
US-11129777-B2 Microcapsules with improved deposition FIRMENICH SA (CH) 2021-09-28 US disclosed
US-20210220244-A1 ANTIMICROBIAL PERSONAL CLEANSING COMPOSITIONS CONOPCO, INC., D/B/A UNILEVER 2021-07-22 US disclosed
US-20210196605-A1 METHOD OF USE OF PERSONAL CLEANSING COMPOSITIONS CONOPCO, INC., D/B/A UNILEVER 2021-07-01 US disclosed
US-20210106513-A1 ANTIMICROBIAL PERSONAL CLEANSING COMPOSITIONS CONOPCO, INC., D/B/A UNILEVER 2021-04-15 US disclosed
US-20210077377-A1 PERSONAL CLEANSING COMPOSITIONS CONOPCO INC DBA UNILEVER (US) 2021-03-18 US disclosed
EP-2552387-A1 SHAMPOO CONTAINING A DENDRITIC MACROMOLECULE AND A GEL NETWORK Unilever PLC (GB) 2013-02-06 EP disclosed
US-20130022567-A1 HAIR CARE COMPOSITION COMPRISING ALKYL-MODIFIED SILOXANE CONOPCO, INC., D/B/A UNILEVER 2013-01-24 US disclosed
EP-2531169-A2 SHAMPOO CONTAINING A GEL NETWORK Unilever PLC, A Company Registered in England and Wales under Company no. 41424 (GB) 2012-12-12 EP disclosed
WO-2012150260-A1 HAIR CARE COMPOSITION COMPRISING HYDROPHOBICALLY-MODIFIED ANIONIC POLYMER AND A METHYLCELLULOSE UNILEVER PLC (GB) 2012-11-08 WO disclosed
WO-2012150259-A1 COMPOSITION UNILEVER PLC (GB) 2012-11-08 WO disclosed
WO-2012004126-A2 HAIR CARE COMPOSITION UNILEVER PLC (GB) 2012-01-12 WO disclosed
WO-2011120736-A1 HAIR CARE COMPOSITION COMPRISING ALKYL -MODIFIED SILOXANE UNILEVER PLC (GB) 2011-10-06 WO disclosed
WO-2011117023-A1 SHAMPOO CONTAINING A DENDRITIC MACROMOLECULE AND A GEL NETWORK UNILEVER PLC (GB) 2011-09-29 WO disclosed
US-20110212043-A1 CONDITIONING SHAMPOO COMPOSITION COMPRISING AN AQUEOUS CONDITIONING GEL CONOPCO, INC., D/B/A UNILEVER 2011-09-01 US disclosed
WO-2011092083-A2 COMPOSITION UNILEVER PLC (GB) 2011-08-04 WO 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 (7 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-20110212043-A1 CONDITIONING SHAMPOO COMPOSITION COMPRISING AN AQUEOUS CONDITIONING GEL CXCL10, SGMS2, SGMS1 TP53 3786/4885SPHK1 174/4885CA2 4268/4885
US-20130022567-A1 HAIR CARE COMPOSITION COMPRISING ALKYL-MODIFIED SILOXANE SGMS1, SGMS2, SCNN1G TP53 2134/4885SPHK1 643/4885CA2 1930/4885
US-20220226229-A1 PERSONAL CLEANSING COMPOSITIONS C9, THOC2, PHOSPHO1 TP53 4139/4885SPHK1 1079/4885CA2 1696/4885
US-11364188-B2 Antimicrobial personal cleansing compositions CUTA, POLR1C, C9 TP53 3592/4885SPHK1 892/4885CA2 730/4885
US-20210220244-A1 ANTIMICROBIAL PERSONAL CLEANSING COMPOSITIONS CUTA, POLR1C, SCO2 TP53 4373/4885SPHK1 1016/4885CA2 900/4885
US-11576849-B2 Antimicrobial personal cleansing compositions NAMPT, ZDHHC7, ZDHHC2 TP53 1710/4885SPHK1 519/4885CA2 3742/4885
US-20210106513-A1 ANTIMICROBIAL PERSONAL CLEANSING COMPOSITIONS NAMPT, ZDHHC7, ZDHHC2 TP53 1710/4885SPHK1 519/4885CA2 3742/4885

“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.