SCHEMBL23940424

SCHEMBL23940424

CC(C)(C)c1ccc(O)c(CN(CCN(CC(=O)O)Cc2cc(CCC(=O)O)ccc2O)CC(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.49
FFAR4 Q5NUL3 2/20 0.46
CYP2D6 P10635 3/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
NR1H4 Q96RI1 3/20 0.42
EPHX2 P34913 1/20 0.42
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
NPSR1 Q6W5P4 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR2 O15552 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL1404313 0.89 FOLH1 (0.56) FOLH1FFAR4FFAR1
SCHEMBL25797889 0.87 FOLH1 (0.49) FOLH1FFAR4RXRARXRBRXRG
SCHEMBL25741233 0.85 FOLH1 (0.52) FOLH1FFAR4CYP2D6FFAR1
SCHEMBL27303602 0.85 FOLH1 (0.52) FOLH1FFAR4CYP1A2FFAR1
SCHEMBL19079019 0.84 FOLH1 (0.54) FOLH1FFAR4RXRARXRBRXRG
SCHEMBL25801389 0.83 FOLH1 (0.52) FOLH1FFAR4NPSR1FFAR1
SCHEMBL22131080 0.83 FOLH1 (0.52) FOLH1RXRACYP1A2CYP2C19PPARA
SCHEMBL18811743 0.82 FOLH1 (0.56) FOLH1FFAR4
SCHEMBL18292001 0.82 FOLH1 (0.54) FOLH1FFAR4FFAR1
SCHEMBL29340370 0.82 FOLH1 (0.51) FOLH1FFAR4FFAR1

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-20210322581-A1 PHARMACEUTICAL FORMULATIONS Blue Earth Diagnostics Limited (GB) 2021-10-21 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-20210322581-A1 PHARMACEUTICAL FORMULATIONS SLC5A1, SLC5A11, SSTR3 FOLH1 213/4885FFAR4 903/4885CYP2D6 2121/4885

“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.