SCHEMBL935571

SCHEMBL935571

O=Cc1ccccc1OC1CCCCC1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.45
ALDH1A1 P00352 4/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 5/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
NPY4R P50391 1/20 0.41
NPY5R Q15761 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
MEN1 O00255 4/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL20022642 0.83 NPY1R (0.50) ALDH1A1SMN1; SMN2KMT2ANPY1RNPY2R
SCHEMBL17091394 0.81 ERN1 (0.38) SRCALDH1A1HPGDGAANPY1R
SCHEMBL15729590 0.81 ERN1 (0.38) SRCALDH1A1HPGDGAANPY1R
SCHEMBL17091393 0.81 ERN1 (0.38) SRCALDH1A1HPGDGAANPY1R
SCHEMBL5302703 0.78 ALDH1A1 (0.50) SRCALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL11779563 0.77 SRC (0.49) SRCALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL31092856 0.76 ALDH1A1 (0.52) SRCALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL29343997 0.76 ALDH1A1 (0.52) SRCALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL1496716 0.76 NPY1R (0.44) ALDH1A1HPGDHTTSMN1; SMN2KMT2A
SCHEMBL1496601 0.76 NPY1R (0.47) ALDH1A1HPGDKMT2ANPY1RNPY2R

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-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 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-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE PC, DPP4, FABP3 SRC 2226/4885ALDH1A1 1899/4885HPGD 1100/4885

“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.