SCHEMBL17777909

SCHEMBL17777909

CCOC(=O)c1c(C(F)(F)F)n[nH]c1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
MAPT P10636 3/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.55
PDE4D Q08499 1/20 0.49
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HTT P42858 1/20 0.38
PLAT P00750 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL20471481 0.84 KDM4E (0.74) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL18103512 0.83 KDM4E (0.40) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL4650523 0.82 KDM4E (0.55) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL4650539 0.79 KDM4E (0.52) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL4650693 0.79 KDM4E (0.52) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL1614317 0.79 PDE4D (0.56) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL19702822 0.79 PDE4D (0.71) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL14487734 0.79 KDM4E (0.48) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL31069966 0.78 PDE4D (0.54) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL20471495 0.77 KDM4E (0.50) KDM4EMAPTPOLBKMT2APDE4D

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-20230183247-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS LTD (GB) 2023-06-15 US disclosed
US-20200407364-A1 FUSED BICYCLIC COMPOUNDS AKARNA THERAPEUTICS LTD (GB) 2020-12-31 US disclosed
US-20200407364-A1 FUSED BICYCLIC COMPOUNDS AKARNA THERAPEUTICS LTD (GB) 2020-12-31 US disclosed
US-20180346473-A1 FUSED BICYCLIC COMPOUNDS AKARNA THERAPEUTICS, LTD. (TW) 2018-12-06 US disclosed
US-20170355699-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE ABBVIE INC. 2017-12-14 US disclosed
WO-2016081918-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS, LTD. (GB) 2016-05-26 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 (4 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-20170355699-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, BRDT, PAICS KDM4E 3393/4885MAPT 982/4885POLB 87/4885
US-20230183247-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, BRDT, PAICS KDM4E 3393/4885MAPT 982/4885POLB 87/4885
US-20180346473-A1 FUSED BICYCLIC COMPOUNDS BICRA, PAICS, NDC1 KDM4E 3546/4885MAPT 2404/4885POLB 577/4885
US-20200407364-A1 FUSED BICYCLIC COMPOUNDS BICRA, PAICS, NDC1 KDM4E 3546/4885MAPT 2404/4885POLB 577/4885

“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.