SCHEMBL4530308

SCHEMBL4530308

COc1ccc(Cn2ccc(C(=O)O)cc2=O)cc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
TUBB4A P04350 5/20 0.44
TUBB P07437 5/20 0.44
TUBA3C P0DPH7 5/20 0.44
TUBA1B P68363 5/20 0.44
TUBA4A P68366 5/20 0.44
TUBB4B P68371 5/20 0.44
TUBB3 Q13509 5/20 0.44
TUBB2A Q13885 5/20 0.44
TUBB8 Q3ZCM7 5/20 0.44
TUBA3E Q6PEY2 5/20 0.44
TUBA1A Q71U36 5/20 0.44
TUBA1C Q9BQE3 5/20 0.44
TUBB6 Q9BUF5 5/20 0.44
TUBB2B Q9BVA1 5/20 0.44
TUBB1 Q9H4B7 5/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 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
SCHEMBL4323310 0.92 MEN1 (0.43) AKR1C3AKR1C2TUBB4ATUBBTUBA3C
SCHEMBL4328873 0.86 TUBB4A (0.45) AKR1C3AKR1C2TUBB4ATUBBTUBA3C
SCHEMBL16302099 0.85 MAPT (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4322543 0.85 MAPT (0.40) AKR1C3AKR1C2TUBB4ATUBBTUBA3C
SCHEMBL3805746 0.84 MAPK1 (0.45) AKR1C3AKR1C2TUBB4ATUBBTUBA3C
SCHEMBL4322257 0.83 MAPT (0.39) AKR1C3AKR1C2MEN1KMT2AMAPT
SCHEMBL8066491 0.83 PDE4D (0.41) FNTAFNTBPGGT1B
SCHEMBL4324319 0.81 MEN1 (0.42) AKR1C3AKR1C2MEN1KMT2AMAPT
SCHEMBL4334185 0.81 AKR1C3 (0.46) AKR1C3AKR1C2TUBB4ATUBBTUBA3C
SCHEMBL4322258 0.81 ACHE (0.44) AKR1C3AKR1C2TUBB4ATUBBTUBA3C

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-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 US disclosed
US-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 US disclosed
EP-2628727-A2 Biaryl PDE4 inhibitors for treating pulmonary and cardiovascular disorders Decode Genetics EHF (IS) 2013-08-21 EP disclosed
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DeCODE Genetics enf (IS) 2012-08-23 US disclosed
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DeCODE Genetics enf (IS) 2012-08-23 US disclosed
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2012-07-19 US disclosed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 US disclosed
US-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 US disclosed
US-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 US 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 (5 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-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B AKR1C3 490/4885AKR1C2 515/4885TUBB4A 838/4885
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B AKR1C3 559/4885AKR1C2 652/4885TUBB4A 593/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B AKR1C3 559/4885AKR1C2 652/4885TUBB4A 593/4885
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B AKR1C3 490/4885AKR1C2 515/4885TUBB4A 838/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B AKR1C3 559/4885AKR1C2 652/4885TUBB4A 593/4885

“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.