SCHEMBL4722473

SCHEMBL4722473

CC(C)COc1ccc(Cl)cc1CC#N

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 15/20 0.48
▸ KDM1A O60341 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ CYP2A6 P11509 1/20 0.40
▸ TBXA2R P21731 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PTGER3 P43115 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
SCHEMBL28270348 0.82 ALDH1A1 (0.41) PTGER1ALDH1A1MAPTTHRBGPR55
SCHEMBL3044927 0.81 KDM1A (0.52) PTGER1KDM1AALDH1A1MAPTTHRB
SCHEMBL4723254 0.81 KDM1A (0.52) PTGER1KDM1AALDH1A1MAPTTHRB
SCHEMBL13347873 0.81 PTGER1 (0.55) PTGER1KDM1AALDH1A1MAPTTHRB
SCHEMBL4720675 0.80 MAPT (0.58) PTGER1KDM1AALDH1A1MAPTTHRB
SCHEMBL549153 0.79 SLC6A4 (0.46) ALDH1A1CYP2A6
SCHEMBL6691434 0.76 GAA (0.51) ALDH1A1MAPTTHRBGAACYP2A6
SCHEMBL4772723 0.75 PTGER1 (0.61) PTGER1KDM1AALDH1A1MAPTTHRB
SCHEMBL9967704 0.75 KDM1A (0.56) KDM1AALDH1A1MAPTGAA
SCHEMBL1096090 0.75 KMT2A (0.43) MAPTGAACYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207708-A1 Oxazole and Thiazole Compounds and Their Use in the Treatment of Pge2 Mediated Disorders GLAXO GROUP LIMITED (GB) 2008-08-28 — — US disclosed
US-20080207708-A1 Oxazole and Thiazole Compounds and Their Use in the Treatment of Pge2 Mediated Disorders GLAXO GROUP LIMITED (GB) 2008-08-28 — — US disclosed
US-20080207708-A1 Oxazole and Thiazole Compounds and Their Use in the Treatment of Pge2 Mediated Disorders GLAXO GROUP LIMITED (GB) 2008-08-28 — — US disclosed
EP-1874776-A1 OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PGE2 MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2008-01-09 — — EP disclosed
WO-2006114274-A1 OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PGE2 MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2006-11-02 — — 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-20080207708-A1 Oxazole and Thiazole Compounds and Their Use in the Treatment of Pge2 Mediated Disorders PTGER1, PTGER2, PTGER4 PTGER1 1/4885KDM1A 2963/4885ALDH1A1 647/4885

“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.

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