SCHEMBL21166554

SCHEMBL21166554

C=CC(=O)NC1COCC1NC(C)CCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37
NAAA Q02083 1/20 0.34
FGFR1 P11362 2/20 0.34
FGFR4 P22455 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
TRPV1 Q8NER1 4/20 0.31
CNR1 P21554 3/20 0.31
CNR2 P34972 2/20 0.31
MEN1 O00255 1/20 0.31
FAAH O00519 1/20 0.31

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
SCHEMBL18897412 1.00 ZDHHC20 (0.39) ZDHHC20ZDHHC2ADH1BADH1CADH1A
SCHEMBL21166512 0.90 FGFR4 (0.36) ZDHHC20ZDHHC2FGFR1FGFR4CYP3A4
SCHEMBL18897316 0.90 FGFR4 (0.36) ZDHHC20ZDHHC2FGFR1FGFR4CYP3A4
SCHEMBL18897315 0.84 FGFR4 (0.37) FGFR1FGFR4CYP3A4CYP2C9CYP2C19
SCHEMBL21166491 0.81 FGFR4 (0.34) ZDHHC20ZDHHC2FGFR1FGFR4CYP3A4
SCHEMBL21166492 0.79 ZDHHC20 (0.50) ZDHHC20ZDHHC2FGFR1FGFR4CYP3A4
SCHEMBL18897246 0.78 FGFR4 (0.35) FGFR1FGFR4CYP3A4CYP2C9CYP2C19
SCHEMBL17522183 0.78 TSHR (0.41) FGFR1FGFR4CYP3A4CYP2C9CYP2C19
SCHEMBL17522200 0.78 TSHR (0.41) FGFR1FGFR4CYP3A4CYP2C9CYP2C19
SCHEMBL18897275 0.77 FGFR4 (0.38) FGFR1FGFR4CYP3A4CYP2C9CYP2C19

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 ZDHHC20 1626/4885ZDHHC2 2316/4885ADH1B 3892/4885

“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.