SCHEMBL4723254

SCHEMBL4723254

CC(C)COc1ccc(Cl)cc1CCl

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.52
▸ PTGER1 P34995 15/20 0.52
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ GPR55 Q9Y2T6 1/20 0.49
▸ GAA P10253 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42

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
SCHEMBL3044927 0.86 KDM1A (0.52) KDM1APTGER1ALDH1A1MAPTTHRB
SCHEMBL13347873 0.86 PTGER1 (0.55) KDM1APTGER1ALDH1A1MAPTTHRB
SCHEMBL4720675 0.85 MAPT (0.58) KDM1APTGER1ALDH1A1MAPTTHRB
SCHEMBL4722473 0.81 PTGER1 (0.48) KDM1APTGER1ALDH1A1MAPTTHRB
SCHEMBL9967704 0.80 KDM1A (0.56) KDM1AALDH1A1MAPTGAACYP1A2
SCHEMBL325648 0.79 SCN4A (0.60) KDM1APTGER1ALDH1A1MAPTGAA
SCHEMBL14098679 0.79 PTGER1 (0.49) KDM1APTGER1CYP1A2CYP2D6
SCHEMBL28291444 0.78 ALDH1A1 (0.45) ALDH1A1MAPTTHRBGPR55GAA
SCHEMBL2824800 0.78 ALDH1A1 (0.48) ALDH1A1MAPTTHRBGPR55GAA
Hydrochloric Acid SCHEMBL4721457 0.77 PTGER1 (0.48) KDM1APTGER1ALDH1A1MAPTTHRB

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 KDM1A 2963/4885PTGER1 1/4885ALDH1A1 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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