SCHEMBL3913604

SCHEMBL3913604

CC(C)Cc1ccc(CO)cc1OC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
KCNH2 Q12809 4/20 0.37
TMEM97 Q5BJF2 4/20 0.37
SIGMAR1 Q99720 4/20 0.37
ALOX15 P16050 3/20 0.34
CASR P41180 1/20 0.34
HTR2A P28223 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
FOS P01100 1/20 0.33
TTR P02766 1/20 0.33
JUN P05412 1/20 0.33
AR P10275 1/20 0.33
NR3C1 P04150 1/20 0.33

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
SCHEMBL3897778 0.85 GABRA1 (0.36) GABRA1GABRB2KCNH2TMEM97SIGMAR1
SCHEMBL16952196 0.83 CYP4F2 (0.44) CYP4F2CYP4A11KCNH2TMEM97SIGMAR1
SCHEMBL3902747 0.81 FOS (0.47) GABRA1GABRB2ALOX15FOSTTR
SCHEMBL16961181 0.80 CYP4F2 (0.39) GABRA1GABRB2CYP4F2CYP4A11KCNH2
SCHEMBL17449714 0.80 GPR3 (0.36) GABRA1GABRB2KCNH2
SCHEMBL8251200 0.80 KCNH2 (0.41) KCNH2TMEM97SIGMAR1HTR2A
SCHEMBL14470262 0.79 GABRA1 (0.39) GABRA1GABRB2KCNH2TMEM97SIGMAR1
SCHEMBL3901506 0.78 CYP4F2 (0.40) GABRA1CYP4F2CYP4A11KCNH2TMEM97
SCHEMBL16953783 0.77 RXRA (0.42) CYP4F2CYP4A11KCNH2TMEM97SIGMAR1
SCHEMBL16961827 0.77 CYP4F2 (0.42) CYP4F2CYP4A11KCNH2TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 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 (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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 GABRA1 301/4885GABRB2 718/4885CYP4F2 976/4885

“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.