SCHEMBL1638734

SCHEMBL1638734

CCCCOC[C@@H](COC)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
TSHR P16473 2/20 0.38
SPHK1 Q9NYA1 1/20 0.38
HTT P42858 1/20 0.37
PRKD3 O94806 1/20 0.37
PRKCG P05129 1/20 0.37
PRKCB P05771 1/20 0.37
PRKCA P17252 1/20 0.37
PRKCH P24723 1/20 0.37
PRKCI P41743 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCZ Q05513 1/20 0.37
PRKCD Q05655 1/20 0.37
PRKD1 Q15139 1/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 2/20 0.36
LPAR5 Q9H1C0 4/20 0.36
LPAR6 P43657 3/20 0.36
LPAR1 Q92633 3/20 0.36

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
SCHEMBL8223606 0.81 USP2 (0.37) USP2TSHRSPHK1HTTPRKD3
SCHEMBL8232147 0.81 USP2 (0.50) USP2TSHRSPHK1HTTHSD17B10
SCHEMBL11991414 0.79 HSD17B10 (0.56) USP2SPHK1HTTHSD17B10
SCHEMBL814746 0.78 PIK3CD (0.31)
SCHEMBL15780013 0.77 TSHR (0.41) USP2TSHRSPHK1HTTPRKD3
SCHEMBL8987536 0.77 TSHR (0.41) USP2TSHRSPHK1HTTPRKD3
SCHEMBL16004035 0.77 TSHR (0.41) USP2TSHRSPHK1HTTPRKD3
Isobutane SCHEMBL3013742 0.75
SCHEMBL22112913 0.75 CA2 (0.32) HSD17B10
SCHEMBL15151965 0.75 TSHR (0.42) USP2TSHRSPHK1HTTPRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150104403-A1 CATIONIC POLYGLYCERYL COMPOSITIONS AND COMPOUNDS KENVUE BRANDS LLC 2015-04-16 US disclosed
US-20150104402-A1 CATIONIC POLYGLYCERYL COMPOSITIONS AND COMPOUNDS JOHNSON & JOHNSON CONSUMER INC. 2015-04-16 US disclosed
US-20150104401-A1 CATIONIC POLYGLYCERYL COMPOSITIONS AND COMPOUNDS JOHNSON & JOHNSON CONSUMER INC. 2015-04-16 US disclosed
US-8986665-B2 Cationic polyglyceryl compositions and compounds JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2015-03-24 US disclosed
US-8961945-B2 Cationic polyglyceryl compositions and compounds JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2015-02-24 US disclosed
US-20140044661-A1 CATIONIC POLYGLYCERYL COMPOSITIONS AND COMPOUND JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2014-02-13 US disclosed
US-20120093753-A1 CATIONIC POLYGLYCERYL COMPOSITIONS AND COMPOUNDS JOHNSON & JOHNSON CONSUMER INC. 2012-04-19 US disclosed
US-20120087882-A1 CATIONIC POLYGLYCERYL COMPOSITIONS AND COMPOUNDS KENVUE BRANDS LLC 2012-04-12 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 (6 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-20150104402-A1 CATIONIC POLYGLYCERYL COMPOSITIONS AND COMPOUNDS PHOSPHO1, SGMS1, SGMS2 USP2 2230/4885TSHR 3821/4885SPHK1 368/4885
US-20150104401-A1 CATIONIC POLYGLYCERYL COMPOSITIONS AND COMPOUNDS PHOSPHO1, SGMS1, SGMS2 USP2 2230/4885TSHR 3821/4885SPHK1 368/4885
US-20120093753-A1 CATIONIC POLYGLYCERYL COMPOSITIONS AND COMPOUNDS PHOSPHO1, SGMS1, SGMS2 USP2 2230/4885TSHR 3821/4885SPHK1 368/4885
US-20150104403-A1 CATIONIC POLYGLYCERYL COMPOSITIONS AND COMPOUNDS PHOSPHO1, SGMS1, SGMS2 USP2 2230/4885TSHR 3821/4885SPHK1 368/4885
US-20120087882-A1 CATIONIC POLYGLYCERYL COMPOSITIONS AND COMPOUNDS PHOSPHO1, SGMS1, SGMS2 USP2 2230/4885TSHR 3821/4885SPHK1 368/4885
US-20140044661-A1 CATIONIC POLYGLYCERYL COMPOSITIONS AND COMPOUND PHOSPHO1, SGMS1, SGMS2 USP2 2400/4885TSHR 3927/4885SPHK1 361/4885

“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.