SCHEMBL20326554

SCHEMBL20326554

CC(C)c1cc(OCCN)ccc1C(C)CCC(C)c1cc(OCCN(C)C)ccc1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
CARM1 Q86X55 1/20 0.41
GBA1 P04062 2/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRNA4 P43681 2/20 0.39
CHRNB2 P17787 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
LTA4H P09960 2/20 0.38
CYP1A2 P05177 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL20327125 0.89 ESR1 (0.37) KEAP1NFE2L2CARM1GBA1KDM4E
SCHEMBL20314846 0.85 KDM4E (0.51) KEAP1NFE2L2GBA1KDM4EALDH1A1
SCHEMBL20327152 0.82 CARM1 (0.55) CARM1KDM4ETDP1LTA4HCYP1A2
SCHEMBL23939166 0.76 KDM4E (0.48) KEAP1NFE2L2GBA1KDM4EALDH1A1
SCHEMBL20334629 0.74 KDM4E (0.49) KEAP1NFE2L2CARM1GBA1KDM4E
SCHEMBL13119614 0.74 KDM4E (0.57) KEAP1NFE2L2CARM1GBA1KDM4E
SCHEMBL23278125 0.72 KDM4E (0.53) KEAP1NFE2L2GBA1KDM4EALDH1A1
SCHEMBL10357854 0.71 KDM4E (0.61) KDM4ELTA4HCYP1A2CYP2D6SIGMAR1
SCHEMBL25696427 0.70 CHRNB2 (0.48) KEAP1NFE2L2GBA1KDM4EALDH1A1
SCHEMBL21610104 0.70 CARM1 (0.56) CARM1KDM4ELTA4H

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-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 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-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KEAP1 344/4885NFE2L2 3211/4885CARM1 2649/4885

“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.