SCHEMBL10309787

SCHEMBL10309787

CCC(=O)CCCCC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.40
TDP1 Q9NUW8 1/20 0.39
CES1 P23141 7/20 0.39
CES2 O00748 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PLA2G4A P47712 1/20 0.36
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
HAO1 Q9UJM8 1/20 0.32

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
SCHEMBL6267013 0.98 FAAH (0.42) FAAHTDP1CES1CES2KMT2A
SCHEMBL22513723 0.93 TDP1 (0.41) FAAHTDP1CES1CES2KMT2A
SCHEMBL1648852 0.85 FAAH (0.36) FAAHCES1CES2KMT2AMEN1
SCHEMBL4257794 0.83 TDP1 (0.45) FAAHTDP1CES1CES2KMT2A
SCHEMBL20226395 0.83 FAAH (0.38) FAAHTDP1CES1CES2KMT2A
SCHEMBL28665298 0.81 HAO1 (0.41) FAAHCES1CES2KMT2AMEN1
SCHEMBL6265842 0.81 FAAH (0.39) FAAHTDP1CES1CES2KMT2A
SCHEMBL12673292 0.80 TDP1 (0.60) TDP1CES1CES2KMT2AMEN1
SCHEMBL11508310 0.79 HAO1 (0.38) FAAHCES1CES2KMT2AMEN1
SCHEMBL6262946 0.78 FAAH (0.37) FAAHTDP1CES1CES2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 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-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 FAAH 1182/4885TDP1 3483/4885CES1 1651/4885

“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.