SCHEMBL5250347

SCHEMBL5250347

[CH2]C#Cc1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.38
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AR P10275 1/20 0.36
SLC22A12 Q96S37 2/20 0.35
IDO1 P14902 2/20 0.34
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
HSD11B1 P28845 1/20 0.32
NFKB1 P19838 1/20 0.32
KIF11 P52732 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTR2C P28335 1/20 0.32
CUL4A Q13619 1/20 0.31
CYP1A2 P05177 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
SCHEMBL563999 0.81 FFAR1 (0.60) FFAR1PTGDR2ALDH1A1LMNATSHR
SCHEMBL5250349 0.78 FFAR1 (0.43) FFAR1PTGDR2ALDH1A1TDP1POLB
SCHEMBL21376142 0.78 FFAR1 (0.43) FFAR1PTGDR2ALDH1A1TDP1POLB
SCHEMBL5542869 0.78 FFAR1 (0.43) FFAR1PTGDR2ALDH1A1TDP1POLB
SCHEMBL4299718 0.77 ALDH1A1 (0.39) FFAR1PTGDR2ALDH1A1TDP1POLB
SCHEMBL13918951 0.75 FFAR1 (0.41) FFAR1PTGDR2ALDH1A1TDP1POLB
SCHEMBL28586422 0.75 FFAR1 (0.44) FFAR1PTGDR2ALDH1A1TDP1POLB
SCHEMBL30270429 0.75 CYP3A4 (0.53) FFAR1PTGDR2ALDH1A1TDP1POLB
SCHEMBL27970953 0.75 FFAR1 (0.55) FFAR1PTGDR2ALDH1A1TDP1POLB
SCHEMBL313726 0.75 ALDH1A1 (0.40) FFAR1PTGDR2ALDH1A1TDP1POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101039935-B Piperidine antibiotics ACTELION PHARMACEUTICALS LTD 2011-04-20 CN disclosed
CN-101039935-A Novel piperidine antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2007-09-19 CN disclosed
US-20070173532-A1 New Piperidine Antibiotics ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-26 US disclosed
EP-1799674-A1 NEW PIPERIDINE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP disclosed
WO-2006038172-A1 NEW PIPERIDINE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-04-13 WO 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-20070173532-A1 New Piperidine Antibiotics OPRM1, SIGMAR1, CBR3 FFAR1 2550/4885PTGDR2 2819/4885ALDH1A1 2606/4885

“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.