SCHEMBL25118449

SCHEMBL25118449

CCCCCCCC(C)CCOCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 3/20 0.43
▸ CSNK1E P49674 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ ACE2 Q9BYF1 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CTRC Q99895 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CNR2 P34972 1/20 0.39

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
SCHEMBL21149889 0.92 EPHX2 (0.42) CNR2
SCHEMBL14402703 0.87 TSHR (0.48) TSHRL3MBTL1TDP1ALDH1A1CYP3A4
SCHEMBL10081323 0.87 L3MBTL1 (0.54) TSHRL3MBTL1TDP1
SCHEMBL4552958 0.84 TSHR (0.45) CETPCSNK1ETSHRCNR2
SCHEMBL28515540 0.84 TSHR (0.45) TSHRL3MBTL1TDP1ALDH1A1CYP3A4
SCHEMBL18606773 0.84 TSHR (0.45) CETPCSNK1ETSHRCNR2
SCHEMBL31362225 0.83 CSNK1E (0.49) CETPCSNK1ETSHRL3MBTL1TDP1
SCHEMBL23533573 0.83 CSNK1E (0.49) CETPCSNK1ETSHRL3MBTL1TDP1
SCHEMBL28788533 0.83 CSNK1E (0.49) CETPCSNK1ETSHRL3MBTL1TDP1
SCHEMBL26163484 0.83 CSNK1E (0.49) CETPCSNK1ETSHRL3MBTL1TDP1

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-20230107538-A1 CYCLOALKYL-CONTAINING CARBOXYLIC ACIDS AND USES THEREOF Liminal Biosciences Limited (GB) 2023-04-06 — — 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-20230107538-A1 CYCLOALKYL-CONTAINING CARBOXYLIC ACIDS AND USES THEREOF HCCS, CCL11, BCAT1 CETP 1183/4885CSNK1E 1003/4885TSHR 3796/4885

“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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