SCHEMBL20568513

SCHEMBL20568513

CC1=C(CCC(C)CCCC(C)CC(=O)N2CCCC(=O)C2)C(C)(C)CCC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.36
RARB P10826 2/20 0.35
RARG P13631 2/20 0.35
RARA P10276 1/20 0.35
RXRA P19793 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.33
ACE2 Q9BYF1 4/20 0.32
PDCD1 Q15116 3/20 0.32
CD274 Q9NZQ7 3/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL3414622 0.79 RARB (0.41) TRPA1RARBRARGRARARXRA
SCHEMBL15082353 0.79 RARB (0.41) TRPA1RARBRARGRARARXRA
SCHEMBL8776387 0.74 RARB (0.44) TRPA1RARBRARGRARARXRA
SCHEMBL16389608 0.72 TRPA1 (0.37) TRPA1RARBRARGRARARXRA
SCHEMBL5442565 0.71 RARB (0.37) TRPA1RARBRARGRARARXRA
SCHEMBL21574083 0.70 MEN1 (0.46) TRPA1RARBRARGRARARXRA
SCHEMBL15435465 0.70 ALDH1A1 (0.38) TRPA1RARBRARGRARARXRA
SCHEMBL3148661 0.69 MEN1 (0.44) TRPA1RARBRARGRARARXRA
SCHEMBL15132004 0.68 POLB (0.44) MEN1KMT2AALDH1A1GAANPSR1
SCHEMBL5441832 0.68 TRPA1 (0.40) TRPA1RARBRARGRARARXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180339961-A1 DIMETHYL-NONATETRAENYL-TRIMETHYL-CYCLOHEXYL COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-11-29 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-20180339961-A1 DIMETHYL-NONATETRAENYL-TRIMETHYL-CYCLOHEXYL COMPOUNDS AND USES THEREOF RARB, RXRB, RXRA TRPA1 4169/4885RARB 1/4885RARG 4/4885

“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.