SCHEMBL22013194

SCHEMBL22013194

CC(C)c1ccc(CN)c(C(C)C)c1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC1 P19801 2/20 0.32
AOC3 Q16853 2/20 0.32
GABRA1 P14867 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
ACE2 Q9BYF1 1/20 0.31
LMNA P02545 2/20 0.30
SLC6A2 P23975 2/20 0.30
HTR2B P41595 2/20 0.30
TRPA1 O75762 1/20 0.30
CHRM1 P11229 1/20 0.30
ADRA1A P35348 1/20 0.30
FAAH O00519 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
GABRB1 P18505 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
SCHEMBL10349024 0.83 GABRA1 (0.42) GABRA1GABRG2GABRB3LMNASLC6A2
SCHEMBL9063441 0.82 ACE2 (0.34) GABRA1GABRG2GABRB3ACE2LMNA
SCHEMBL11554595 0.80 SMN1; SMN2 (0.31) GABRA1GABRG2GABRB3ACE2
SCHEMBL3250855 0.80 GABRA1 (0.30) GABRA1GABRG2GABRB3ACE2
SCHEMBL1292825 0.80 GABRA1 (0.41) GABRA1GABRG2GABRB3LMNASLC6A2
SCHEMBL3249692 0.75 ACE2 (0.31) ACE2
SCHEMBL7504565 0.74
SCHEMBL840511 0.74 ACE2 (0.36) GABRA1GABRG2GABRB3ACE2CA1
SCHEMBL2232069 0.72 FABP3 (0.31)
SCHEMBL1228797 0.71 LMNA (0.32) GABRA1GABRG2GABRB3LMNASLC6A2

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-10660969-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2020-05-26 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-10660969-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof MRPL38, ALG8, COG8 AOC1 3982/4885AOC3 4429/4885GABRA1 557/4885

“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.