SCHEMBL20087334

SCHEMBL20087334

CC(CC(C)(C)C)c1cccc(C(C)CC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.45
HDAC4 P56524 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC2 Q92769 1/20 0.39
TAAR1 Q96RJ0 3/20 0.37
CACNA1F O60840 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRA2B P18089 1/20 0.34
CHRM3 P20309 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
OPRK1 P41145 1/20 0.34
CACNA1D Q01668 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34
AOC3 Q16853 2/20 0.33

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
SCHEMBL11785530 0.88 ACHE (0.41) RIPK1HDAC4HDAC8HDAC2AOC3
SCHEMBL5664123 0.84 RIPK1 (0.63) RIPK1TAAR1CACNA1FCHRM2CHRM1
SCHEMBL5918492 0.80 RIPK1 (0.46) RIPK1TAAR1AOC3TRPA1
SCHEMBL18575544 0.78 HDAC4 (0.38) RIPK1HDAC4HDAC8HDAC2TAAR1
SCHEMBL4984000 0.75 KIF11 (0.44) RIPK1HDAC4HDAC8HDAC2
SCHEMBL1006801 0.73 HDAC4 (0.62) HDAC4HDAC8HDAC2TAAR1TRPA1
SCHEMBL18810758 0.72 HDAC8 (0.38) RIPK1HDAC8TAAR1
SCHEMBL16313441 0.72 ESR1 (0.46) CACNA1CTRPA1
SCHEMBL15279301 0.72 ACHE (0.38) RIPK1HDAC4HDAC8HDAC2AOC3
SCHEMBL507696 0.72 HRH3 (0.39) RIPK1TAAR1

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-20180112015-A1 POLYMERIZATION INITIATOR, MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHODS FOR PREPARING THEM LG CHEM, LTD. (KR) 2018-04-26 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-20180112015-A1 POLYMERIZATION INITIATOR, MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHODS FOR PREPARING THEM RIF1, RAD51, TRRAP RIPK1 1086/4885HDAC4 3842/4885HDAC8 3277/4885

“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.