SCHEMBL3898699

SCHEMBL3898699

CC(C)c1ccc(CCl)cc1OC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
TTR P02766 2/20 0.36
KCNH2 Q12809 4/20 0.34
TMEM97 Q5BJF2 4/20 0.34
SIGMAR1 Q99720 4/20 0.34
KCNN4 O15554 2/20 0.33
CASR P41180 1/20 0.33
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PDE2A O00408 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 1/20 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
SCHEMBL3901506 0.84 CYP4F2 (0.40) KCNK3KCNK9KCNH2TMEM97SIGMAR1
SCHEMBL30842461 0.80 TTR (0.50) TTRALDH1A1
SCHEMBL3897778 0.78 GABRA1 (0.36) TTRKCNH2TMEM97SIGMAR1CASR
SCHEMBL12868655 0.78 CNR2 (0.39) KCNK3KCNK9KCNH2PDE2A
SCHEMBL26455884 0.78 RXRA (0.46) KCNK3KCNK9ALDH1A1L3MBTL1MAPT
SCHEMBL2713113 0.77 TTR (0.51) TTRALDH1A1
SCHEMBL10984090 0.76 KCNN4 (0.42) TTRKCNH2TMEM97SIGMAR1KCNN4
SCHEMBL9824390 0.76 EPHX1 (0.45) TTRKCNN4EPHX1
SCHEMBL24910322 0.76 PDE2A (0.48) KCNK3KCNK9ALDH1A1PDE2A
SCHEMBL12889908 0.76 KCNK3 (0.40) KCNK3KCNK9KCNN4ALDH1A1PDE2A

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 KCNK3 949/4885KCNK9 1881/4885TTR 4136/4885

“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.