SCHEMBL30850839

SCHEMBL30850839

CCCCOC(=O)N1CCCCc2ccc(CCCC=O)nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 9/20 0.36
AVPR2 P30518 2/20 0.35
OXTR P30559 2/20 0.35
AVPR1A P37288 2/20 0.35
SMYD3 Q9H7B4 1/20 0.34
TP53 P04637 3/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ITGAV P06756 1/20 0.33
ITGB6 P18564 1/20 0.33
LMNA P02545 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
ADRA1B P35368 1/20 0.32

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
SCHEMBL30850824 0.85 AVPR2 (0.34) FGFR4AVPR2OXTRAVPR1ASMYD3
SCHEMBL29860313 0.84 MPO (0.37) FGFR4NPC1RAB9AITGAVITGB6
SCHEMBL23527756 0.82 FGFR4 (0.36) FGFR4ITGAV
SCHEMBL20517697 0.81 NOTUM (0.41) FGFR4
SCHEMBL29416391 0.81 MPO (0.38) FGFR4NPC1RAB9AITGAVITGB6
SCHEMBL21314546 0.79 FGFR4 (0.38) FGFR4KMT2ASMN1; SMN2ITGAV
SCHEMBL31076000 0.78 MPO (0.37) FGFR4NPC1RAB9AITGAVITGB6
SCHEMBL12807163 0.78 MPO (0.38) FGFR4AVPR2OXTRAVPR1ANPC1
SCHEMBL14380644 0.78 MPO (0.38) FGFR4NPC1RAB9AITGAVITGB6
SCHEMBL29922126 0.77 KDM4E (0.34) FGFR4ITGAVITGB6

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-11884661-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-30 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-11884661-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV FGFR4 671/4885AVPR2 776/4885OXTR 2315/4885

“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.