SCHEMBL21937616

SCHEMBL21937616

COC1CCCCC1C#Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ APP P05067 1/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ SLC18A3 Q16572 1/20 0.35
▸ ADORA3 P0DMS8 3/20 0.33
▸ PTGES O14684 1/20 0.33
▸ GRM5 P41594 4/20 0.33
▸ TSHR P16473 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL21826350 0.74 SLC18A3 (0.40) ALDH1A1KDM4EMAPTAPPSLC18A3
SCHEMBL21826347 0.74 SLC18A3 (0.40) ALDH1A1KDM4EMAPTAPPSLC18A3
SCHEMBL21826348 0.74 SLC18A3 (0.40) ALDH1A1KDM4EMAPTAPPSLC18A3
SCHEMBL24234510 0.70 RARB (0.38) GRM5
SCHEMBL11232546 0.70 FFAR1 (0.53) MAPTAPPPTGESGRM5
SCHEMBL11225320 0.69 CYP1A2 (0.55) MAPTAPPPTGESGRM5
SCHEMBL8752132 0.69 CYP1A2 (0.55) MAPTAPPPTGESGRM5
SCHEMBL24234509 0.66 PTPN11 (0.41) ALDH1A1MAPT
SCHEMBL15266861 0.66 FFAR1 (0.49) KDM4EMAPTAPPPTGESGRM5
SCHEMBL22547094 0.66 FABP5 (0.49) ALDH1A1NPSR1KDM4EMAPTSLC18A3

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 3 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-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 — — 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 (3 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 ALDH1A1 1981/4885NPSR1 687/4885KDM4E 3249/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL ALDH1A1 1981/4885NPSR1 687/4885KDM4E 3249/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 ALDH1A1 2168/4885NPSR1 772/4885KDM4E 3124/4885

“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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