SCHEMBL3887387

SCHEMBL3887387

OCc1cc2c(o1)-c1cc(Cl)ccc1Oc1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
HDAC3 O15379 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
HDAC4 P56524 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
HDAC1 Q13547 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37

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
SCHEMBL3882294 0.87 MAPK1 (0.38) MAPK1HDAC6CYP1A2CYP2D6KDM4E
SCHEMBL3883851 0.78 MAPK1 (0.56) MAPK1DRD2DRD4CYP1A2CYP3A4
SCHEMBL3881168 0.77 MAPK1 (0.38) MAPK1HDAC3TUBB4ATUBBTUBA3C
SCHEMBL3885397 0.76 MAPK1 (0.40) MAPK1HDAC6DRD2DRD4CYP1A2
SCHEMBL3883812 0.76 MAPK1 (0.47) MAPK1DRD2DRD4CYP1A2CYP3A4
SCHEMBL19537683 0.75 MAPK1 (0.57) MAPK1DRD2DRD4CYP1A2CYP3A4
SCHEMBL3881181 0.75 MAPK1 (0.39) MAPK1HDAC6DRD2DRD4CYP1A2
SCHEMBL4846600 0.73 MAPK1 (0.41) MAPK1HDAC3TUBB4ATUBBTUBA3C
SCHEMBL4846385 0.71 MAPK1 (0.50) MAPK1HDAC3TUBB4ATUBBTUBA3C
SCHEMBL10729951 0.71 MAPK1 (0.50) MAPK1HDAC3TUBB4ATUBBTUBA3C

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
EP-1684742-B1 USE OF 1-OXADIBENZO [E,H] AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2009-01-14 EP claimed
US-20070173493-A1 1-Oxadibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2007-07-26 US claimed
US-20050209214-A1 1-oxa-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-09-22 US claimed
US-20050148577-A1 1-oxa-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-07-07 US claimed
EP-1684742-B1 USE OF 1-OXADIBENZO [E,H] AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2009-01-14 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 (3 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-20050148577-A1 1-oxa-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof TNF, IL1B, IL1A MAPK1 167/4885HDAC3 4390/4885TUBB4A 2925/4885
US-20050209214-A1 1-oxa-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof TNF, IL1B, IL1A MAPK1 159/4885HDAC3 4411/4885TUBB4A 2908/4885
US-20070173493-A1 1-Oxadibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders DBH, MAOB, BCHE MAPK1 1968/4885HDAC3 3070/4885TUBB4A 1945/4885

“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.