SCHEMBL5517261

SCHEMBL5517261

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.51
TSHR P16473 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
MAPK1 P28482 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
TPMT P51580 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL5512015 0.88 TSHR (0.58) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5512852 0.87 PDE4B (0.53) PDE4BTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL28663604 0.79 MAPT (0.66) PDE4BTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL661271 0.77 ALDH1A1 (0.56) PDE4BTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL3924278 0.77 CA12 (0.73) PDE4BTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL4277719 0.77 MAPK1 (0.59) PDE4BTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL661011 0.77 PDE4B (0.62) PDE4BTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL7353148 0.76 PDE4B (0.54) PDE4BTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL20116207 0.75 PDE4B (0.61) PDE4BTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL5091293 0.75 TUBB4A (0.52) PDE4BTUBB4ATUBBTUBA3CTUBA1B

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 7 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
EP-1026167-B1 TRICYCLIC TRIAZOLOBENZAZEPINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND ANTIALLERGIC AGENTS MEIJI SEIKA KAISHA (JP) 2003-03-05 EP 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 2157/4885TSHR 489/4885CYP1A2 30/4885
US-20020137739-A1 Tricyclic triazolobenzazepine derivatives, process for producing the same, and antiallergic agents HRH4, CYP3A4, TPH1 PDE4B 1712/4885TSHR 826/4885CYP1A2 28/4885

“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.