SCHEMBL953827

SCHEMBL953827

CCCC(=O)N(Cc1ccc2c(c1)OCCO2)c1cccc(C#N)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.62
CYP2C8 P10632 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FNIP1 Q8TF40 1/20 0.41
FEM1B Q9UK73 1/20 0.41
HPGD P15428 1/20 0.41
LTB4R2 Q9NPC1 3/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
PDCD1 Q15116 1/20 0.39

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
SCHEMBL1078031 0.92 PTGDR2 (0.60) PTGDR2CYP2C8CYP2C9CYP2C19ALDH1A1
SCHEMBL950511 0.85 PTGDR2 (0.60) PTGDR2CYP2C8CYP2C9CYP2C19TRPM8
SCHEMBL950694 0.82 PTGDR2 (0.63) PTGDR2CYP2C8CYP2C9CYP2C19ALDH1A1
SCHEMBL950410 0.81 PTGDR2 (0.64) PTGDR2CYP2C8CYP2C9CYP2C19LTB4R2
SCHEMBL955843 0.77 PTGDR2 (0.64) PTGDR2CYP2C8CYP2C9CYP2C19RAB9A
SCHEMBL2680756 0.76 PTGDR2 (0.72) PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL14229160 0.74 TP53 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2LTB4R2
SCHEMBL950049 0.73 PTGDR2 (0.61) PTGDR2CYP2C8CYP2C9CYP2C19ALDH1A1
SCHEMBL933416 0.73 LTB4R2 (0.47) PTGDR2LTB4R2
SCHEMBL934341 0.73 LTB4R2 (0.64) PTGDR2CYP2C8CYP2C9CYP2C19LTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454243-A2 TETRAZOLE DERIVATIVES Merck Serono SA (CH) 2012-05-23 EP disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 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-20120115869-A1 TETRAZOLE DERIVATIVES TSLP, IL5, CMA1 PTGDR2 548/4885CYP2C8 108/4885CYP2C9 34/4885

“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.