SCHEMBL21166491

SCHEMBL21166491

C=CC(=O)N[C@H]1COC[C@H]1NC(CC)CCCC

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 6/20 0.34
FGFR1 P11362 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL18897246 0.92 FGFR4 (0.35) FGFR4FGFR1CYP3A4CYP2C9CYP2C19
SCHEMBL18897275 0.89 FGFR4 (0.38) FGFR4FGFR1CYP3A4CYP2C9CYP2C19
SCHEMBL18897412 0.81 ZDHHC20 (0.39) FGFR4FGFR1CYP3A4CYP2C9CYP2C19
SCHEMBL21166554 0.81 ZDHHC20 (0.39) FGFR4FGFR1CYP3A4CYP2C9CYP2C19
SCHEMBL18897316 0.80 FGFR4 (0.36) FGFR4FGFR1CYP3A4CYP2C9CYP2C19
SCHEMBL21166512 0.80 FGFR4 (0.36) FGFR4FGFR1CYP3A4CYP2C9CYP2C19
SCHEMBL18897315 0.80 FGFR4 (0.37) FGFR4FGFR1CYP3A4CYP2C9CYP2C19
SCHEMBL21166536 0.80
SCHEMBL17522200 0.76 TSHR (0.41) FGFR4FGFR1CYP3A4CYP2C9CYP2C19
SCHEMBL17522183 0.76 TSHR (0.41) FGFR4FGFR1CYP3A4CYP2C9CYP2C19

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-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-07-18 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-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC FGFR4 1590/4885FGFR1 1733/4885CYP3A4 3127/4885

“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.