SCHEMBL5514536

SCHEMBL5514536

CCOC(=O)C#CC(O)c1cc(OC(C)C)c(OC)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 3/20 0.41
CYP3A4 P08684 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.39
TNF P01375 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
PDK1 Q15118 1/20 0.35
THRB P10828 1/20 0.35
PKM P14618 1/20 0.35
F11 P03951 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL8057843 1.00 ALDH1A1 (0.42) ALDH1A1KDM4ETDP1HTTNPC1
SCHEMBL8067005 0.96 PDK1 (0.38) ALDH1A1KDM4ETDP1HTTNPC1
SCHEMBL5515200 0.94 ALDH1A1 (0.47) ALDH1A1KDM4ETDP1HTTNPC1
SCHEMBL7822888 0.87 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1HTTNPC1
SCHEMBL7815755 0.81 RECQL (0.40) ALDH1A1KDM4ETDP1HTTNPC1
SCHEMBL5515232 0.81 HTT (0.51) ALDH1A1KDM4ETDP1HTTNPC1
SCHEMBL8704564 0.79 CYP3A4 (0.43) ALDH1A1KDM4ETDP1HTTNPC1
SCHEMBL8704569 0.79 CYP3A4 (0.43) ALDH1A1KDM4ETDP1HTTNPC1
SCHEMBL8068471 0.79 ALDH1A1 (0.36) ALDH1A1KDM4ETDP1HTTNPC1
SCHEMBL8073573 0.78 PKM (0.46) ALDH1A1KDM4ETDP1HTTNPC1

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 9 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
US-6093714-A AN ANTIALLERGENS FOR TREATMENT AND PREVENTION OF BRONCHIAL ASTHMA, ECZEMA, HIVES, ALLERGIC GASTROINTESTINAL TROUBLES, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS MEIJI SEIKA KAISHA, LTD. (JP) 2000-07-25 US disclosed
EP-0834512-A1 TRICYCLIC BENZAZEPINE COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1998-04-08 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 ALDH1A1 959/4885KDM4E 752/4885TDP1 1842/4885
US-20020137739-A1 Tricyclic triazolobenzazepine derivatives, process for producing the same, and antiallergic agents HRH4, CYP3A4, TPH1 ALDH1A1 691/4885KDM4E 547/4885TDP1 1762/4885

“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.