SCHEMBL20028558

SCHEMBL20028558

Bc1cc(C(C)C)ccc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.38
▸ TRPA1 O75762 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ HIF1A Q16665 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CYP2D6 P10635 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ RNASEH1 O60930 1/20 0.33
▸ TYR P14679 2/20 0.32
▸ KIF11 P52732 1/20 0.32
▸ PDK2 Q15119 1/20 0.30
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ SCN4A P35499 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL11436395 0.77 LMNA (0.48) LMNATRPA1PTGS1CACNA1CHIF1A
SCHEMBL21666380 0.75 ALDH1A1 (0.53) LMNATRPA1PTGS1CACNA1CHIF1A
SCHEMBL12767970 0.75 LMNA (0.38) LMNATRPA1PTGS1CACNA1CHIF1A
SCHEMBL31305634 0.75 TRPA1 (0.55) LMNATRPA1PTGS1CACNA1CHIF1A
SCHEMBL19542869 0.75 LMNA (0.38) LMNATRPA1PTGS1CACNA1CHIF1A
SCHEMBL2791357 0.75 TRPA1 (0.55) LMNATRPA1PTGS1CACNA1CHIF1A
SCHEMBL10267400 0.75 LMNA (0.38) LMNATRPA1PTGS1CACNA1CHIF1A
SCHEMBL19317747 0.75 LMNA (0.44) LMNATRPA1PTGS1CACNA1CHIF1A
SCHEMBL25564808 0.73 CYP2D6 (0.37) LMNATRPA1PTGS1CACNA1CHIF1A
SCHEMBL22790526 0.72 LMNA (0.54) LMNATRPA1PTGS1CACNA1CHIF1A

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-20180092902-A1 CCR6 COMPOUNDS CHEMOCENTRYX, INC. 2018-04-05 — — 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-20180092902-A1 CCR6 COMPOUNDS CCR6, CCR1, CCR4 LMNA 3796/4885TRPA1 2359/4885PTGS1 2357/4885

“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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