SCHEMBL19441007

SCHEMBL19441007

Cc1cc(C(F)(F)F)ccc1-c1ccc(C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.48
AKR1C2 P52895 7/20 0.48
PTPN5 P54829 2/20 0.45
LMNA P02545 1/20 0.44
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
CYP1A2 P05177 1/20 0.40
CASR P41180 2/20 0.40
PDE2A O00408 1/20 0.40
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
GCGR P47871 1/20 0.38
APP P05067 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
SCHEMBL19808131 0.85 PDE2A (0.50) AKR1C3AKR1C2PTPN5CASRPDE2A
SCHEMBL14054473 0.82 KIF11 (0.59) SLC1A3SLC1A2SLC1A1CYP1A2APP
SCHEMBL2296728 0.82 PTGDR2 (0.48) SLC1A3SLC1A2SLC1A1CYP1A2PDE2A
SCHEMBL26454256 0.82 LMNA (0.37) AKR1C3AKR1C2PTPN5LMNASLC1A3
SCHEMBL10078969 0.82 NPBWR1 (0.47) AKR1C3AKR1C2SLC1A3SLC1A2SLC1A1
SCHEMBL14666775 0.80 KIF11 (0.44) AKR1C3AKR1C2LMNASLC1A3SLC1A2
SCHEMBL14113002 0.80 PPARA (0.45) AKR1C3AKR1C2SLC1A3SLC1A2SLC1A1
SCHEMBL14087362 0.79 PTPN5 (0.59) AKR1C3AKR1C2PTPN5PDE2APSEN1
SCHEMBL16809158 0.78 ESR2 (0.55) SLC1A3SLC1A2SLC1A1
SCHEMBL24910317 0.78 AKR1C3 (0.54) AKR1C3AKR1C2PTPN5CASRPSEN1

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-10221130-B2 Glucagon antagonists METABASIS THERAPEUTICS, INC. (US) 2019-03-05 US disclosed
US-20180022695-A1 GLUCAGON ANTAGONISTS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2018-01-25 US disclosed
US-9783494-B2 Glucagon antagonists METABASIS THERAPEUTICS, INC. (US) 2017-10-10 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-20180022695-A1 GLUCAGON ANTAGONISTS GLP1R, GCG, GCGR AKR1C3 600/4885AKR1C2 483/4885PTPN5 503/4885
US-10221130-B2 Glucagon antagonists GLP1R, GCG, GCGR AKR1C3 729/4885AKR1C2 595/4885PTPN5 499/4885

“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.