SCHEMBL1371045

SCHEMBL1371045

C#Cc1cc(Cl)ccc1OCC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.47
CYP2C9 P11712 2/20 0.43
CYP1A2 P05177 1/20 0.43
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ACLY P53396 1/20 0.41

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
SCHEMBL6213275 0.87 NPC1 (0.47) PTGDR2CYP2C9CYP1A2HIF1AACLY
SCHEMBL12146159 0.85 PTGDR2 (0.54) PTGDR2CYP2C9CYP1A2HIF1ATDP1
SCHEMBL12145814 0.83 PTGDR2 (0.48) PTGDR2CYP2C9
SCHEMBL1369812 0.82 PTGDR2 (0.47) PTGDR2ALDH1A1ACLY
SCHEMBL28694748 0.82 TDP1 (0.62) ALDH1A1TDP1L3MBTL1
SCHEMBL31068577 0.81 ALDH1A1 (0.46) PTGDR2CYP2C9ALDH1A1ACLY
SCHEMBL29347077 0.81 ALDH1A1 (0.46) PTGDR2CYP2C9ALDH1A1ACLY
SCHEMBL22777216 0.81 CYP1A2 (0.64) CYP2C9CYP1A2HIF1ATDP1
SCHEMBL1371792 0.80 PTGDR2 (0.68) PTGDR2CYP2C9TDP1
SCHEMBL12146163 0.80 PTGDR2 (0.60) PTGDR2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
US-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
EP-2396295-A1 PHENOXY ACETIC ACID DERIVATIVES Merck Serono S.A. (CH) 2011-12-21 EP disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 US disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 US disclosed
WO-2010092043-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2010-08-19 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-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES HRH2, HRH1, HRH3 PTGDR2 51/4885CYP2C9 2830/4885CYP1A2 310/4885

“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.