SCHEMBL1368620

SCHEMBL1368620

CC(C)(C)C(Oc1ccc(Cl)cc1C#Cc1ccc(NC(=O)c2ccccc2)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.44
PNLIP P16233 1/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP13 P45452 1/20 0.40
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 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
SCHEMBL1370008 0.91 PTGDR2 (0.45) PTGDR2NPC1RAB9ASMN1; SMN2
SCHEMBL1371343 0.88 ALDH1A1 (0.46) PTGDR2MEN1KMT2AHPGDKDM4E
SCHEMBL1371280 0.81 PTGDR2 (0.49) PTGDR2CYP2C9
SCHEMBL1370016 0.80 PTGDR2 (0.64) PTGDR2CYP2C9
SCHEMBL1369403 0.79 PTGDR2 (0.64) PTGDR2
SCHEMBL1370600 0.79 PTGDR2 (0.73) PTGDR2CYP2C9
SCHEMBL1371754 0.78 PTGDR2 (0.66) PTGDR2CYP2C9
SCHEMBL1370497 0.76 PTGDR2 (0.66) PTGDR2CYP2C9
SCHEMBL1370491 0.76 PTGDR2 (0.69) PTGDR2CYP2C9
SCHEMBL1370496 0.76 PTGDR2 (0.54) 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 2 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-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 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-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES HRH2, HRH1, HRH3 PTGDR2 51/4885PNLIP 3170/4885MEN1 4663/4885

“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.