SCHEMBL2889038

SCHEMBL2889038

C1C2CC1O2.COc1cc2c(cc1OC)C1CCCCC1N=C2c1ccccc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 4/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PDE4D Q08499 3/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
S1PR1 P21453 1/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL2887778 0.83 PDE4D (0.41) SMN1; SMN2HPGDTNKSTNKS2PDE4D
Hydrochloric Acid SCHEMBL6526680 0.81 PDE4D (0.38) RAB9AHPGDNPC1TNKSTNKS2
SCHEMBL6533925 0.80 PDE5A (0.39) RAB9ASMN1; SMN2HPGDNPC1TSHR
SCHEMBL6441615 0.78 ALDH1A1 (0.39) RAB9ASMN1; SMN2HPGDNPC1TP53
SCHEMBL6441610 0.78 ALDH1A1 (0.39) RAB9ASMN1; SMN2HPGDNPC1TP53
SCHEMBL6441614 0.78 ALDH1A1 (0.39) RAB9ASMN1; SMN2HPGDNPC1TP53
SCHEMBL5972860 0.77 MAPK10 (0.43) PDE4DALDH1A1PDE4APDE4BPDE4C
SCHEMBL5972857 0.77 MAPK10 (0.43) PDE4DALDH1A1PDE4APDE4BPDE4C
SCHEMBL5972862 0.77 MAPK10 (0.43) PDE4DALDH1A1PDE4APDE4BPDE4C
SCHEMBL6445961 0.77 CAMKK1 (0.39) PDE4DPDE4APDE4BPDE4C

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 RAB9A 2699/4885SMN1; SMN2 3417/4885HPGD 606/4885

“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.