SCHEMBL5512852

SCHEMBL5512852

CCOC(=O)C#CC(=O)c1ccc(OC)c(OC(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.53
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
MAPK1 P28482 2/20 0.52
TSHR P16473 4/20 0.44
CYP2C19 P33261 2/20 0.43
POLB P06746 1/20 0.43
CTNNB1 P35222 2/20 0.43
WNT3A P56704 2/20 0.43
HSD17B2 P37059 1/20 0.43
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PDK1 Q15118 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 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
SCHEMBL5516226 0.90 MAPT (0.52) PDE4BALDH1A1MAPTMAPK1TSHR
SCHEMBL5517261 0.87 PDE4B (0.51) PDE4BALDH1A1MAPTMAPK1TSHR
SCHEMBL661011 0.78 PDE4B (0.62) PDE4BALDH1A1MAPTMAPK1TSHR
SCHEMBL7684319 0.76 MAPT (0.77) PDE4BALDH1A1MAPTMAPK1TSHR
SCHEMBL5512015 0.75 TSHR (0.58) ALDH1A1MAPTMAPK1TSHRCYP2C19
SCHEMBL5515232 0.75 HTT (0.51) ALDH1A1MAPTCYP2C19POLBLMNA
SCHEMBL20116207 0.74 PDE4B (0.61) PDE4BALDH1A1MAPTMAPK1TSHR
SCHEMBL661271 0.73 ALDH1A1 (0.56) PDE4BALDH1A1MAPTTSHRCYP2C19
SCHEMBL3924278 0.73 CA12 (0.73) PDE4BALDH1A1MAPK1TSHRCYP2C19
SCHEMBL4277719 0.73 MAPK1 (0.59) PDE4BALDH1A1MAPTMAPK1TSHR

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-7238812-B2 Tricyclic triazolobenzazepine derivatives, process for producing the same, and antiallergic agents MEJI SEIKA KAISHA, LTD. (JP) 2007-07-03 US disclosed
US-20060074074-A1 Tricyclic triazolobenzazepine derivatives, process for producing the same, and antiallergic agents MEIJI SEIKA PHARMA CO., LTD. (JP) 2006-04-06 US disclosed
US-7022860-B2 Tricyclic triazolobenzazepine derivatives, process for producing the same, and antiallergic agents MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-04 US disclosed
US-20020137739-A1 Tricyclic triazolobenzazepine derivatives, process for producing the same, and antiallergic agents MEIJI SEIKA PHARMA CO., LTD. (JP) 2002-09-26 US disclosed
US-6372735-B1 ANTIHISTAMINES MEIJI SEIKA KAISHA, LTD. (JP) 2002-04-16 US disclosed
EP-1026167-A1 TRICYCLIC TRIAZOLOBENZAZEPINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND ANTIALLERGIC MEIJI SEIKA KAISHA LTD. (JP) 2000-08-09 EP 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 (2 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-20060074074-A1 Tricyclic triazolobenzazepine derivatives, process for producing the same, and antiallergic agents HRH4, CYP2D6, CYP2B6 PDE4B 2157/4885ALDH1A1 959/4885MAPT 3031/4885
US-20020137739-A1 Tricyclic triazolobenzazepine derivatives, process for producing the same, and antiallergic agents HRH4, CYP3A4, TPH1 PDE4B 1712/4885ALDH1A1 691/4885MAPT 3223/4885

“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.