SCHEMBL2264908

SCHEMBL2264908

COc1ccc(C=O)cc1OCC(F)F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.64
TSHR P16473 1/20 0.64
FDPS P14324 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 2/20 0.56
HTT P42858 2/20 0.56
LMNA P02545 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HPGD P15428 2/20 0.50
AOX1 Q06278 1/20 0.50
TRIM24 O15164 1/20 0.50
ALDH5A1 P51649 1/20 0.50
ABAT P80404 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
KDM4E B2RXH2 1/20 0.48
TTR P02766 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL1121580 0.86 ALDH1A1 (0.66) ALDH1A1TSHRFDPSSMN1; SMN2MAPT
SCHEMBL31009650 0.86 ALDH1A1 (0.66) ALDH1A1TSHRFDPSSMN1; SMN2MAPT
SCHEMBL6226106 0.83 ALDH1A1 (0.62) ALDH1A1TSHRFDPSSMN1; SMN2MAPT
SCHEMBL25273767 0.82 ALDH1A1 (0.70) ALDH1A1TSHRFDPSSMN1; SMN2MAPT
SCHEMBL7025457 0.82 ALDH1A1 (0.60) ALDH1A1TSHRFDPSSMN1; SMN2MAPT
SCHEMBL7661907 0.82 FDPS (0.86) ALDH1A1TSHRFDPSSMN1; SMN2MAPT
SCHEMBL9337827 0.81 ALDH1A1 (0.58) ALDH1A1TSHRFDPSSMN1; SMN2MAPT
SCHEMBL30416638 0.80 ALDH1A1 (0.72) ALDH1A1TSHRFDPSSMN1; SMN2MAPT
SCHEMBL5974454 0.80 FDPS (0.77) ALDH1A1TSHRFDPSSMN1; SMN2MAPT
SCHEMBL754958 0.80 ALDH1A1 (0.72) ALDH1A1TSHRFDPSSMN1; SMN2MAPT

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9962377-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors TAKEDA GMBH (DE) 2018-05-08 US disclosed
US-20160279120-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS TAKEDA GMBH (DE) 2016-09-29 US disclosed
US-9387205-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors TAKEDA GMBH (DE) 2016-07-12 US disclosed
US-20150352096-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-10 US disclosed
US-9149479-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors TAKEDA GMBH (DE) 2015-10-06 US disclosed
CN-104817534-A Novel hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors ALTANA PHARMA AG 2015-08-05 CN disclosed
CN-104803974-A Novel hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors TAKEDA GMBH 2015-07-29 CN disclosed
CN-104803973-A Novel hydroxy-6-heteroarylphenanthridines and their use as pde4 inhibitors TAKEDA GMBH 2015-07-29 CN disclosed
CN-104761545-A NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS TAKEDA GMBH 2015-07-08 CN disclosed
US-20150119389-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-30 US disclosed
EP-1720835-A1 NOVEL GUANIDINYL-SUBSTITUTED HYDROXY-6-PHENYLPHENANTHRIDINES AS EFFECTIVE PHOSPHODIESTERASE (PDE) 4 INHIBITORS Altana Pharma AG (DE) 2006-11-15 EP disclosed
WO-2006095009-A1 AMIDO-SUBSTITUTED 6-PHENYLPHENANTHRIDINES NYCOMED GMBH (DE) 2006-09-14 WO disclosed
WO-2006092417-A1 6 -HETEROARYL-1, 2, 3,4,4A, 1OB-HEXAHYDRO-PHENANTHRIDINES AS PDE-4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISORDERS NYCOMED GMBH (DE) 2006-09-08 WO disclosed
WO-2005090311-A1 NOVEL HETEROCYCLYL-SUBSTITUTED HYDROXY-6-PHENYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-09-29 WO disclosed
WO-2005087744-A1 NOVEL THIO-CONTAINING HYDROXY-6-PHENYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-09-22 WO disclosed
WO-2005087745-A1 NOVEL AMIDO-SUBSTITUTED HYDROXY-6-PHENYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-09-22 WO disclosed
WO-2005085203-A1 NOVEL DIFLUOROETHOXY-SUBSTITUTED HYDROXY-6-PHENYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-09-15 WO disclosed
WO-2005085225-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-09-15 WO disclosed
WO-2005084104-A2 NOVEL ISOAMIDO-SUBSTITUTED HYDROXY-6-PHENYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-09-15 WO disclosed
WO-2005077906-A1 NOVEL GUANIDINYL-SUBSTITUTED HYDROXY-6-PHENYLPHENENTHRIDINES AS EFFECTIVE PHOSPHODIESTERASE (PDE) 4 INHIBITORS ALTANA PHARMA AG (DE) 2005-08-25 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 (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-20150352096-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE12 ALDH1A1 632/4885TSHR 4229/4885FDPS 2347/4885
US-20150119389-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C ALDH1A1 407/4885TSHR 4166/4885FDPS 793/4885
US-20160279120-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE12, PDE4B ALDH1A1 148/4885TSHR 2679/4885FDPS 277/4885

“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.