SCHEMBL2171031

SCHEMBL2171031

CCOC(=O)c1c(C(F)(F)F)nn2c(OC)cccc12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.57
KDM4E B2RXH2 8/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PLAT P00750 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
PDE4D Q08499 2/20 0.39
GAA P10253 2/20 0.38
ELANE P08246 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL2172464 0.79 PLAT (0.43) PDE4BKDM4EALDH1A1HPGDTP53
SCHEMBL3219443 0.78 PLAT (0.43) PDE4BKDM4EALDH1A1HPGDTP53
SCHEMBL20088523 0.77 PLAT (0.43) PDE4BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10276357 0.77 EGFR (0.50) PDE4BKDM4EALDH1A1HPGDPDE4D
SCHEMBL12334434 0.76 PDE4B (0.50) PDE4BKDM4EALDH1A1POLBCYP1A2
SCHEMBL20094614 0.76 PLAT (0.42) PDE4BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL16454032 0.75 PLAT (0.39) PDE4BKDM4EALDH1A1HPGDTP53
SCHEMBL22361032 0.74 PLAT (0.41) PDE4BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3216185 0.72 KDM4E (0.41) PDE4BKDM4EALDH1A1HPGDPLAT
SCHEMBL18816905 0.72 RAB9A (0.53) KDM4EALDH1A1HPGDTP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4269418-A1 BORATE DERIVATIVE AND USES THEREOF Reistone Biopharma Company Limited (CN) 2023-11-01 EP disclosed
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-09-15 US disclosed
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-09-15 US disclosed
EP-2351748-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2011-08-03 EP disclosed
EP-2348018-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2011-07-27 EP disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US disclosed
WO-2010035745-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2010-04-01 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 (2 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-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE3A, PDE2A, PDE3B PDE4B 6/4885KDM4E 1522/4885ALDH1A1 190/4885
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE5A, PDE2A, PDE3A PDE4B 9/4885KDM4E 1184/4885ALDH1A1 162/4885

“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.