SCHEMBL2887139

SCHEMBL2887139

[c]1ccc(OCc2ccccc2)c(OCC2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.43
SLC6A4 P31645 4/20 0.40
HTR1A P08908 3/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
RIPK1 Q13546 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRM2 Q14416 1/20 0.38
MAOB P27338 1/20 0.37
DRD2 P14416 1/20 0.37
KDM1A O60341 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL183414 0.87 MAPT (0.48) HTR1ASLC6A2SLC6A3MAPTMAPK1
SCHEMBL342502 0.80 HTR1A (0.55) HTR1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL28674763 0.80 C5AR1 (0.48) C5AR1SLC6A4HTR1ASLC6A2SLC6A3
SCHEMBL2889568 0.78 RIPK1 (0.40) SLC6A4HTR1ASLC6A2SLC6A3RIPK1
SCHEMBL182637 0.78 HTR1A (0.53) HTR1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL339374 0.78 HTR1A (0.53) HTR1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL27934804 0.78 HTR1A (0.49) C5AR1HTR1AMAPTMAPK1TDP1
SCHEMBL23259231 0.77 HTR1A (0.47) C5AR1SLC6A4HTR1ASLC6A2SLC6A3
SCHEMBL28480501 0.77 MAPT (0.42) C5AR1HTR1ASLC6A2SLC6A3MAPT
SCHEMBL2881056 0.76 PDE4B (0.44) RIPK1

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
CN-113784713-A Leukotriene synthesis inhibitors 纳吉斯制药股份有限公司 2021-12-10 CN disclosed
US-7776893-B2 Use of PDE4 inhibitors for the treatment of diabetes mellitus NYCOMED GMBH (DE) 2010-08-17 US disclosed
US-20060281745-A1 Use of pde4 inhibitors for the treatment of diabetes mellitus ALTANA PHARMA AG (DE) 2006-12-14 US disclosed
EP-1650193-A2 6-Phenylphenanthridines with PDE-IV inhibiting activity ALTANA Pharma AG (DE) 2006-04-26 EP disclosed
EP-1147089-B1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2005-12-07 EP disclosed
WO-2005023253-A1 USE OF PDE4 INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS ALTANA PHARMA AG (DE) 2005-03-17 WO disclosed
US-6476025-B1 Phenylphennanthridines with PDE-IV inhibiting activity ALTANA PHARMA AG (DE) 2002-11-05 US disclosed
EP-1147089-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-10-24 EP disclosed
WO-2000042020-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-07-20 WO 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 (1 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-20060281745-A1 Use of pde4 inhibitors for the treatment of diabetes mellitus PDE4A, PDE4B, PDE12 C5AR1 4067/4885SLC6A4 841/4885HTR1A 3473/4885

“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.