Pivalate

Pivalate

SCHEMBL4885836

CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.OCCOCCO

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.53
MAPK1 P28482 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.43
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
PPARA Q07869 3/20 0.33
PPARG P37231 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
BLM P54132 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
Pivalate SCHEMBL11109449 1.00 TSHR (0.53) TSHRMAPK1MEN1KMT2AALDH1A1
Tetraethylene Glycol SCHEMBL4886960 0.97 MEN1 (0.55) TSHRMAPK1MEN1KMT2AALDH1A1
Triethylene Glycol SCHEMBL1640973 0.97 MEN1 (0.55) TSHRMAPK1MEN1KMT2AALDH1A1
Di(Hydroxyethyl)Ether SCHEMBL1171016 0.85 TSHR (0.48) TSHRMAPK1MEN1KMT2AALDH1A1
Di(Hydroxyethyl)Ether SCHEMBL2528560 0.85 TSHR (0.48) TSHRMAPK1MEN1KMT2AALDH1A1
Di(Hydroxyethyl)Ether SCHEMBL11471879 0.83 TSHR (0.46) TSHRMAPK1MEN1KMT2AALDH1A1
Triethylene Glycol SCHEMBL11010343 0.83 MEN1 (0.50) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL15012611 0.81 MEN1 (0.48) TSHRMAPK1MEN1KMT2AALDH1A1
Di(Hydroxyethyl)Ether SCHEMBL9325783 0.80 TSHR (0.62) TSHRMAPK1MEN1KMT2AALDH1A1
Di(Hydroxyethyl)Ether SCHEMBL28435040 0.80 TSHR (0.62) TSHRMAPK1MEN1KMT2AALDH1A1

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
US-8404258-B2 External preparation for the skin SHISEIDO COMPANY, LTD. (JP) 2013-03-26 US disclosed
US-8404258-B2 External preparation for the skin SHISEIDO COMPANY, LTD. (JP) 2013-03-26 US disclosed
US-20080293811-A1 External preparation for the the skin SHISEIDO COMPANY, LTD. (JP) 2008-11-27 US disclosed
US-20080293811-A1 External preparation for the the skin SHISEIDO COMPANY, LTD. (JP) 2008-11-27 US disclosed
EP-1430905-B1 SKIN TREATMENT COMPOSITION SHISEIDO CO LTD (JP) 2007-11-14 EP disclosed
EP-1430905-B1 SKIN TREATMENT COMPOSITION SHISEIDO CO LTD (JP) 2007-11-14 EP disclosed
EP-1430905-A4 EXTERNAL PREPARATION FOR THE SKIN SHISEIDO CO LTD (JP) 2006-06-14 EP disclosed
US-20040197361-A1 External preparation for the skin SHISEIDO COMPANY, LTD. (JP) 2004-10-07 US disclosed
US-20040197361-A1 External preparation for the skin SHISEIDO COMPANY, LTD. (JP) 2004-10-07 US disclosed
CN-1535162-A External preparation for skin ������������ʽ���� 2004-10-06 CN disclosed
EP-1430905-A1 EXTERNAL PREPARATION FOR THE SKIN SHISEIDO COMPANY LIMITED (JP) 2004-06-23 EP disclosed
EP-1430905-A1 EXTERNAL PREPARATION FOR THE SKIN SHISEIDO COMPANY LIMITED (JP) 2004-06-23 EP disclosed
WO-2003026698-A1 EXTERNAL PREPARATION FOR THE SKIN SHISEIDO COMPANY, LTD. (JP) 2003-04-03 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 (2 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-20040197361-A1 External preparation for the skin CUTA, DDOST, DSG1 TSHR 3564/4885MAPK1 4030/4885MEN1 4327/4885
US-20080293811-A1 External preparation for the the skin CUTA, DDOST, DSG1 TSHR 3558/4885MAPK1 3990/4885MEN1 4308/4885

“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.