SCHEMBL26080895

SCHEMBL26080895

OC(O)C#Cc1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.41
FFAR1 O14842 1/20 0.39
HTT P42858 2/20 0.38
ATM Q13315 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ERN1 O75460 1/20 0.34
PIN1 Q13526 1/20 0.33
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
KEAP1 Q14145 1/20 0.32
ADK P55263 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
DAO P14920 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL6865448 0.80 MAPT (0.59) GRM5FFAR1HTTATMMAPT
SCHEMBL6781700 0.80 GRM5 (0.40) GRM5FFAR1HTTATMMAPT
SCHEMBL7205217 0.79 ALDH1A1 (0.43) GRM5FFAR1HTTATMMAPT
SCHEMBL12394780 0.78 GRM5 (0.44) GRM5FFAR1HTTATMMAPT
SCHEMBL2491796 0.78 GRM5 (0.55) GRM5FFAR1ATMMAPTALDH1A1
SCHEMBL7205975 0.76 AHR (0.39) GRM5FFAR1HTTATMMAPT
Charcoal, Activated SCHEMBL31286311 0.76 GRM5 (0.53) GRM5FFAR1ATMMAPTALDH1A1
SCHEMBL7201347 0.75 ALDH1A1 (0.37) GRM5FFAR1HTTATMMAPT
SCHEMBL7204981 0.75 GRM5 (0.43) GRM5FFAR1HTTATMMAPT
SCHEMBL7199032 0.75 GRM5 (0.40) GRM5FFAR1HTTATMMAPT

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-20230314934-A1 PHOTOACTIVE COMPOUNDS, PHOTORESIST COMPOSITIONS INCLUDING THE SAME, AND PATTERN FORMATION METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2023-10-05 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-20230314934-A1 PHOTOACTIVE COMPOUNDS, PHOTORESIST COMPOSITIONS INCLUDING THE SAME, AND PATTERN FORMATION METHODS CRY1, CBR3, C1S GRM5 4169/4885FFAR1 2573/4885HTT 3650/4885

“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.