SCHEMBL26951972

SCHEMBL26951972

CCCCOC(=O)[C@H]1C[C@@H]1COCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.51
TSHR P16473 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
CHRM2 P08172 3/20 0.43
CHRM4 P08173 3/20 0.43
CHRM5 P08912 3/20 0.43
CHRM1 P11229 3/20 0.43
CHRM3 P20309 3/20 0.43
FFAR4 Q5NUL3 2/20 0.43
PTPN1 P18031 2/20 0.42
CDC25B P30305 1/20 0.42
PPARG P37231 3/20 0.41
KDM4E B2RXH2 1/20 0.41
CETP P11597 3/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL26952600 0.90 L3MBTL1 (0.49) L3MBTL1TSHRTDP1MAPK1ALDH1A1
SCHEMBL26952628 0.90 L3MBTL1 (0.49) L3MBTL1TSHRTDP1MAPK1ALDH1A1
SCHEMBL18630954 0.87 CA1 (0.49) TSHRALDH1A1FFAR4
SCHEMBL5453543 0.87 CA1 (0.49) TSHRALDH1A1FFAR4
SCHEMBL15927903 0.87 CA1 (0.49) TSHRALDH1A1FFAR4
SCHEMBL23970542 0.87 CA1 (0.49) TSHRALDH1A1FFAR4
SCHEMBL23970385 0.87 CA1 (0.49) TSHRALDH1A1FFAR4
SCHEMBL15927893 0.87 CA1 (0.49) TSHRALDH1A1FFAR4
SCHEMBL5925105 0.87 CA1 (0.49) TSHRALDH1A1FFAR4
SCHEMBL17407791 0.81 CPB1 (0.51) TSHRMAPK1ALDH1A1CYP3A4FFAR4

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-20230399314-A1 CD73 INHIBITOR AND USE THEREOF Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-12-14 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-20230399314-A1 CD73 INHIBITOR AND USE THEREOF ENTPD5, ENTPD1, NT5E L3MBTL1 4691/4885TSHR 2133/4885TDP1 163/4885

“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.