SCHEMBL21087488

SCHEMBL21087488

CCOc1cc(Cn2c(=O)[nH]c3cc(F)cnc32)ccc1OC

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.64
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2B Q13224 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL21117369 0.89 PDE4B (0.61) PDE4BHSD17B10GRIN1GRIN2B
SCHEMBL21087117 0.88 PDE4B (0.64) PDE4BHSD17B10KDM4EALDH1A1TP53
SCHEMBL21117546 0.88 PDE4B (0.62) PDE4BHSD17B10GRIN1GRIN2B
SCHEMBL21117374 0.88 PDE4B (0.64) PDE4BHSD17B10KDM4EALDH1A1TP53
SCHEMBL21117550 0.86 PDE4B (0.61) PDE4BHSD17B10GRIN1GRIN2B
SCHEMBL21117394 0.85 PDE4B (0.68) PDE4BHSD17B10KDM4EALDH1A1TP53
SCHEMBL21117398 0.85 PDE4B (0.54) PDE4BGRIN1GRIN2B
SCHEMBL21117373 0.84 PDE4B (0.51) PDE4BHSD17B10KDM4EALDH1A1TP53
SCHEMBL21117315 0.84 PDE4B (0.60) PDE4BHSD17B10KDM4EALDH1A1
SCHEMBL21113764 0.83 GRIN1 (0.52) PDE4BHSD17B10KDM4EALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662189-B2 PDE4 inhibitor Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2020-05-26 US disclosed
EP-3502111-A1 PDE4 INHIBITOR Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2019-06-26 EP disclosed
US-20190177318-A1 PDE4 INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2019-06-13 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 (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-20190177318-A1 PDE4 INHIBITOR PDE4A, PDE12, PDE4B PDE4B 3/4885HSD17B10 177/4885KDM4E 711/4885
US-10662189-B2 PDE4 inhibitor PDE4A, PDE12, PDE4B PDE4B 3/4885HSD17B10 177/4885KDM4E 711/4885

“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.