SCHEMBL21937563

SCHEMBL21937563

CCC1(c2ccccc2)COC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
DPP4 P27487 2/20 0.41
SLC6A4 P31645 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
APEX1 P27695 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CHRM2 P08172 3/20 0.37
CHRM4 P08173 3/20 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
SCHEMBL29783550 0.85 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3OPRM1CHRM2
SCHEMBL19381940 0.84 ALDH1A1 (0.45) MAOAMAOBTAAR1DPP4SLC6A4
SCHEMBL27180225 0.80 TSHR (0.42) MAOAMAOBTAAR1DPP4SLC6A4
SCHEMBL1561557 0.80 MAOA (0.45) MAOAMAOBTAAR1DPP4SLC6A4
SCHEMBL15955086 0.79 MAOA (0.60) MAOAMAOBTAAR1DPP4SLC6A4
SCHEMBL14513169 0.79 ALDH1A1 (0.50) MAOAMAOBTAAR1DPP4SLC6A4
SCHEMBL16296466 0.78 MAOB (0.65) MAOAMAOBTAAR1DPP4SLC6A4
SCHEMBL5030113 0.78 MAOA (0.43) MAOAMAOBTAAR1DPP4SLC6A4
SCHEMBL25398109 0.78 MAOA (0.39) MAOAMAOBTAAR1DPP4SLC6A4
SCHEMBL23511343 0.78 MAOA (0.39) MAOAMAOBTAAR1DPP4SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 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 (2 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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL MAOA 4632/4885MAOB 4500/4885TAAR1 1853/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL MAOA 4632/4885MAOB 4500/4885TAAR1 1853/4885

“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.