SCHEMBL25005258

SCHEMBL25005258

CC(C)[C@H]1C[C@@H]1c1cnc2c(C(F)(F)F)cccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
KDM1A O60341 2/20 0.37
PSMD14 O00487 1/20 0.35
COPS5 Q92905 1/20 0.35
SLC6A4 P31645 2/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 1/20 0.34
TRPM5 Q9NZQ8 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ESR1 P03372 1/20 0.31
SSTR1 P30872 1/20 0.31
SSTR4 P31391 1/20 0.31
ADORA2A P29274 5/20 0.31
ADORA1 P30542 5/20 0.31
KCNH2 Q12809 4/20 0.31
CYP3A4 P08684 3/20 0.31

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
SCHEMBL25004335 0.84 TRPM5 (0.42) PSMD14COPS5TRPM5SSTR1SSTR4
SCHEMBL25005707 0.80 SLC6A4 (0.44) KDM4EKDM1APSMD14COPS5SLC6A4
SCHEMBL25005282 0.75 SLC6A4 (0.57) KDM1ASLC6A4CNR2MAOBALDH1A1
SCHEMBL30224671 0.75 KDM4E (0.34) KDM4EKDM1ASLC6A4CNR1CNR2
SCHEMBL23717257 0.72 PSMD14 (0.42) KDM4EPSMD14COPS5CNR1CNR2
SCHEMBL3051052 0.71 PSMD14 (0.41) KDM4EPSMD14COPS5CNR1CNR2
SCHEMBL25004312 0.71 KDM1A (0.31) KDM1AMAOB
SCHEMBL30224542 0.71 SYK (0.34) KDM4EKDM1ACNR1CNR2
SCHEMBL25005545 0.71 HRH3 (0.43) KDM1AMAOBSSTR4KCNH2
SCHEMBL25004338 0.70 KDM1A (0.30) KDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 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 (1 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E KDM4E 944/4885KDM1A 2052/4885PSMD14 4539/4885

“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.