SCHEMBL3901506

SCHEMBL3901506

CC(C)c1ccc(CO)cc1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
KCNH2 Q12809 4/20 0.36
TMEM97 Q5BJF2 4/20 0.36
SIGMAR1 Q99720 4/20 0.36
THRB P10828 1/20 0.35
RORC P51449 1/20 0.35
CASR P41180 1/20 0.35
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AR P10275 1/20 0.34
EPHX1 P07099 1/20 0.33
PDE2A O00408 1/20 0.33
APP P05067 1/20 0.33
KCNN4 O15554 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
SCHEMBL3898699 0.84 KCNK3 (0.36) KCNK3KCNK9KCNH2TMEM97SIGMAR1
SCHEMBL30842447 0.80 THRB (0.48) THRBRORC
SCHEMBL16953889 0.80 THRB (0.48) THRBRORC
SCHEMBL16953783 0.79 RXRA (0.42) CYP4F2CYP4A11KCNK3KCNK9KCNH2
SCHEMBL16961827 0.79 CYP4F2 (0.42) CYP4F2CYP4A11KCNH2TMEM97SIGMAR1
SCHEMBL3913604 0.78 GABRA1 (0.39) CYP4F2CYP4A11KCNH2TMEM97SIGMAR1
SCHEMBL16957488 0.78 HTT (0.46) CYP4F2CYP4A11THRBRORCGABRA1
SCHEMBL16957643 0.78 CYP4F2 (0.42) CYP4F2CYP4A11KCNH2TMEM97SIGMAR1
SCHEMBL26455884 0.78 RXRA (0.46) KCNK3KCNK9ALDH1A1L3MBTL1AR
SCHEMBL16951979 0.77 HTT (0.49) CYP4F2CYP4A11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP 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
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 CYP4F2 976/4885CYP4A11 762/4885KCNK3 949/4885

“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.