SCHEMBL1368670

SCHEMBL1368670

CC(C)(C)C(Oc1ccc(Cl)cc1C#Cc1ccc(C(=O)N2CCOCC2)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.52
PHGDH O43175 1/20 0.46
AKR1C3 P42330 1/20 0.43
ACACB O00763 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 3/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM5 P41594 2/20 0.40
PKM P14618 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL1370192 0.90 PTGDR2 (0.50) PTGDR2PHGDHACACBSMN1; SMN2HPGD
SCHEMBL1369045 0.84 PTGDR2 (0.75) PTGDR2SMN1; SMN2GRM5KDM4E
SCHEMBL1370999 0.80 PTGDR2 (0.67) PTGDR2PHGDH
SCHEMBL1370016 0.80 PTGDR2 (0.64) PTGDR2
SCHEMBL12146085 0.79 PTGDR2 (0.57) PTGDR2PHGDHAKR1C3ACACBSMN1; SMN2
SCHEMBL1371280 0.79 PTGDR2 (0.49) PTGDR2
SCHEMBL1369403 0.77 PTGDR2 (0.64) PTGDR2
SCHEMBL1371343 0.76 ALDH1A1 (0.46) PTGDR2SMN1; SMN2MAPTHPGDKMT2A
SCHEMBL1368054 0.76 PTGDR2 (0.70) PTGDR2KMT2A
SCHEMBL1368620 0.75 PTGDR2 (0.44) PTGDR2SMN1; SMN2MAPTHPGDKMT2A

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 51/4885PHGDH 34/4885AKR1C3 80/4885

“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.