SCHEMBL22701031

SCHEMBL22701031

C=CCCCCN1CCN(CCCCC=C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
FAAH O00519 4/20 0.34
TSHR P16473 2/20 0.33
ABCC4 O15439 1/20 0.33
MAPT P10636 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MGLL Q99685 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
SCHEMBL22700912 0.98 BCHE (0.37) BCHEACHEFAAHTSHRABCC4
SCHEMBL22700913 0.98 BCHE (0.37) BCHEACHEFAAHTSHRABCC4
SCHEMBL22701027 0.94 FAAH (0.37) BCHEACHEFAAHTSHRABCC4
SCHEMBL22701025 0.85 CYP3A4 (0.32) FAAH
SCHEMBL15926436 0.82 FAAH (0.31) FAAHTSHRABCC4MAPT
SCHEMBL11323543 0.77 ADRA1B (0.43) TSHR
SCHEMBL8999277 0.75 BCHE (0.32) BCHEACHE
SCHEMBL8076187 0.74 L3MBTL1 (0.38) ACHE
SCHEMBL8157044 0.74 KDM4E (0.41) FAAHTSHRABCC4MAPTLPAR2
SCHEMBL2922550 0.73 FAAH (0.34) FAAHTSHRABCC4MAPTMGLL

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-11807596-B2 Thiol compounds, synthesis method therefor, and utilization of said thiol compounds SHIKOKU CHEMICALS CORPORATION (JP) 2023-11-07 US disclosed
US-11807596-B2 Thiol compounds, synthesis method therefor, and utilization of said thiol compounds SHIKOKU CHEMICALS CORPORATION (JP) 2023-11-07 US disclosed
US-20200369606-A1 THIOL COMPOUNDS, SYNTHESIS METHOD THEREFOR, AND UTILIZATION OF SAID THIOL COMPOUNDS SHIKOKU CHEMICALS CORPORATION (JP) 2020-11-26 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 (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-20200369606-A1 THIOL COMPOUNDS, SYNTHESIS METHOD THEREFOR, AND UTILIZATION OF SAID THIOL COMPOUNDS TMT1A, CTH, SLC7A11 BCHE 1496/4885ACHE 2232/4885FAAH 1673/4885
US-11807596-B2 Thiol compounds, synthesis method therefor, and utilization of said thiol compounds TMT1A, CTH, SLC7A11 BCHE 1496/4885ACHE 2232/4885FAAH 1673/4885

“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.