SCHEMBL6653958

SCHEMBL6653958

O=C(O)CCCCCCCCCCCOCC(O)CO

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.59
ALDH1A1 P00352 1/20 0.47
LMNA P02545 3/20 0.45
KDM4E B2RXH2 1/20 0.45
DUSP3 P51452 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 2/20 0.43
GPR84 Q9NQS5 1/20 0.43
PLA2G2C Q5R387 2/20 0.42
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
LPAR5 Q9H1C0 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
SCHEMBL7157613 1.00 USP2 (0.59) USP2ALDH1A1LMNAKDM4EDUSP3
SCHEMBL28203478 0.98 USP2 (0.56) USP2ALDH1A1LMNAKDM4EDUSP3
Adipic Acid SCHEMBL6740995 0.93 USP2 (0.51) USP2ALDH1A1LMNAKDM4EDUSP3
SCHEMBL946974 0.92 USP2 (0.53) USP2ALDH1A1LMNAKDM4EDUSP3
Dodecanoate SCHEMBL28995146 0.92 USP2 (0.75) USP2ALDH1A1LMNAKDM4EDUSP3
Stearic Acid SCHEMBL28804039 0.92 USP2 (0.75) USP2ALDH1A1LMNAKDM4EDUSP3
Octanoic Acid SCHEMBL28832818 0.92 USP2 (0.75) USP2ALDH1A1LMNAKDM4EDUSP3
Dodecanoate SCHEMBL394038 0.92 USP2 (0.75) USP2ALDH1A1LMNAKDM4EDUSP3
Octanoic Acid SCHEMBL28725968 0.92 USP2 (0.75) USP2ALDH1A1LMNAKDM4EDUSP3
Stearic Acid SCHEMBL28436825 0.92 USP2 (0.75) USP2ALDH1A1LMNAKDM4EDUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040211010-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a polyol ester, processes therefor and uses thereof L'OREAL (FR) 2004-10-28 US disclosed
EP-1428516-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a polyol ester; method and use L'OREAL (FR) 2004-06-16 EP disclosed
US-5536444-A Compressed-gas packages using polyoxyethylene glyceryl fatty-acid esters as suspension stabilizers and valve lubricants ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1996-07-16 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-20040211010-A1 Dye composition comprising a cationic tertiary para-phenylenediamine and a polyol ester, processes therefor and uses thereof KRT18, PPHLN1, PKLR USP2 4427/4885ALDH1A1 1325/4885LMNA 285/4885

“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.