SCHEMBL755300

SCHEMBL755300

CCOC(=O)c1cc(C(C)=O)oc1Cc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
KDM4E B2RXH2 4/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALOX12 P18054 1/20 0.45
CCR6 P51684 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
TSHR P16473 2/20 0.45
POLB P06746 2/20 0.41
HTT P42858 1/20 0.41
ALOX5 P09917 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL16921581 0.82 PDE3B (0.42) PDE3BPDE3AKDM4EMAPTALDH1A1
SCHEMBL765461 0.77 MAPT (0.51) PDE3BPDE3AKDM4EMAPTALDH1A1
SCHEMBL754651 0.77 LIPG (0.45) PDE3BPDE3AKDM4EMAPTALDH1A1
SCHEMBL823438 0.73 ALDH1A1 (0.46) PDE3BPDE3AKDM4EMAPTALDH1A1
SCHEMBL4677310 0.72 HDAC4 (0.54) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL4716961 0.72 PDE3B (0.46) PDE3BPDE3AKDM4EMAPTALDH1A1
SCHEMBL18796715 0.71 PDE3B (0.78) PDE3BPDE3AKDM4EMAPTALDH1A1
SCHEMBL23453758 0.69 PDE3B (0.51) PDE3BPDE3AKDM4EMAPTALDH1A1
SCHEMBL759556 0.69 ALDH1A1 (0.48) PDE3BPDE3AKDM4EMAPTALDH1A1
SCHEMBL1828976 0.69 HDAC4 (0.65) KDM4EMAPTALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PDE3B 2465/4885PDE3A 2706/4885KDM4E 382/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PDE3B 2465/4885PDE3A 2706/4885KDM4E 382/4885

“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.