SCHEMBL25973804

SCHEMBL25973804

CO[C@H]1CCCC[C@@]1(C)O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
SLC18A3 Q16572 1/20 0.33
GAA P10253 1/20 0.31
TRPA1 O75762 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
SCHEMBL17971808 0.93
SCHEMBL9232446 0.84 ALDH1A1 (0.35) ALDH1A1L3MBTL1MAPTSLC18A3GAA
SCHEMBL21179109 0.80 ALDH1A1 (0.33) ALDH1A1L3MBTL1MAPTSLC18A3
SCHEMBL13799456 0.76 SLC6A4 (0.34) SLC6A4SLC6A3GAA
SCHEMBL7144406 0.76 SLC6A4 (0.35) MAPTSLC6A4SLC6A3
SCHEMBL10046778 0.75 CYP3A4 (0.39) ALDH1A1MAPT
SCHEMBL14594772 0.75 ALDH1A1 (0.31) ALDH1A1L3MBTL1
SCHEMBL25973884 0.73 SLC6A4 (0.33) SLC6A4SLC6A3
SCHEMBL27705534 0.73 SLC6A4 (0.33) SLC6A4SLC6A3
SCHEMBL21179111 0.72 SLC6A4 (0.33) MAPTSLC6A4SLC6A3

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-11718602-B2 EGFR inhibitors BLUEPRINT MEDICINES CORPORATION (US) 2023-08-08 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-11718602-B2 EGFR inhibitors EGFR, ERBB2, ERBB3 ALDH1A1 2657/4885L3MBTL1 4203/4885MAPT 2974/4885

“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.