SCHEMBL16642005

SCHEMBL16642005

CC(C)OC(=O)CCCCCCC/C=C\CCCCCCCCS(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.51
▸ EPHX2 P34913 2/20 0.48
▸ PRKCA P17252 2/20 0.44
▸ PRKCE Q02156 1/20 0.44
▸ PRKCQ Q04759 1/20 0.44
▸ PRKCD Q05655 1/20 0.44
▸ PGR P06401 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ MC3R P41968 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ SCN5A Q14524 1/20 0.42
▸ DAGLA Q9Y4D2 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ FAAH O00519 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL6128382 1.00 LMNA (0.51) LMNAEPHX2PRKCAPRKCEPRKCQ
SCHEMBL19571072 0.87 LMNA (0.66) LMNAPRKCAPRKCEPRKCQPRKCD
SCHEMBL6128324 0.87 EPHX2 (0.48) LMNAEPHX2PRKCAPRKCEPRKCQ
SCHEMBL10075911 0.87 LMNA (0.66) LMNAPRKCAPRKCEPRKCQPRKCD
SCHEMBL23754250 0.81 LMNA (0.62) LMNAPRKCAPRKCEPRKCQPRKCD
SCHEMBL18133442 0.81 LMNA (0.79) LMNAPRKCAPRKCEPRKCQPRKCD
SCHEMBL4124375 0.81 LMNA (0.79) LMNAPRKCAPRKCEPRKCQPRKCD
SCHEMBL80898 0.81 LMNA (0.79) LMNAPRKCAPRKCEPRKCQPRKCD
SCHEMBL10338452 0.81 LMNA (0.79) LMNAPRKCAPRKCEPRKCQPRKCD
SCHEMBL6514791 0.81 LMNA (0.79) LMNAPRKCAPRKCEPRKCQPRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150101132-A1 CATIONIC DYE BEARING AN ANIONIC ORGANIC COUNTERION, DYE COMPOSITION COMPRISING THEM AND PROCESS FOR DYEING KERATIN USING THESE DYES L'OREAL (FR) 2015-04-16 — — US disclosed
US-20150101132-A1 CATIONIC DYE BEARING AN ANIONIC ORGANIC COUNTERION, DYE COMPOSITION COMPRISING THEM AND PROCESS FOR DYEING KERATIN USING THESE DYES L'OREAL (FR) 2015-04-16 — — 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-20150101132-A1 CATIONIC DYE BEARING AN ANIONIC ORGANIC COUNTERION, DYE COMPOSITION COMPRISING THEM AND PROCESS FOR DYEING KERATIN USING THESE DYES KRT18, COL14A1, COL1A1 LMNA 184/4885EPHX2 3278/4885PRKCA 1843/4885

“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.

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