SCHEMBL4579574

SCHEMBL4579574

CCOc1c(C(F)(F)F)c2ccc(OC)cc2oc1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.61
EPHX2 P34913 1/20 0.52
ALDH1A1 P00352 7/20 0.51
KDM4E B2RXH2 5/20 0.51
MAPT P10636 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
POLB P06746 1/20 0.51
STAT1 P42224 1/20 0.51
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NQO1 P15559 1/20 0.48
HPGD P15428 3/20 0.47
GAA P10253 2/20 0.47
HSD17B10 Q99714 2/20 0.47
AR P10275 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
MAOB P27338 3/20 0.45

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
SCHEMBL8489307 0.81 NQO1 (0.65) CYP2C9ALDH1A1KDM4EMAPTNPC1
SCHEMBL27192968 0.78 ALDH1A1 (0.63) CYP2C9EPHX2ALDH1A1KDM4EMAPT
SCHEMBL5272845 0.77 CYP2C9 (0.76) CYP2C9EPHX2ALDH1A1KDM4EMAPT
SCHEMBL5273533 0.76 CYP2C9 (1.00) CYP2C9EPHX2ALDH1A1KDM4EMAPT
SCHEMBL7141330 0.75 CYP2C9 (0.64) CYP2C9EPHX2ALDH1A1KDM4EMAPT
SCHEMBL28961470 0.75 CA12 (0.61) CYP2C9ALDH1A1KDM4EMAPTNPC1
SCHEMBL7141194 0.75 CYP2C9 (0.63) CYP2C9EPHX2ALDH1A1KDM4EMAPT
SCHEMBL5905798 0.74 CYP2C9 (0.79) CYP2C9ALDH1A1KDM4ENPC1RAB9A
SCHEMBL27412780 0.72 NQO1 (0.54) CYP2C9ALDH1A1KDM4EMAPTNPC1
SCHEMBL8489395 0.72 ALDH1A1 (0.59) CYP2C9ALDH1A1KDM4EMAPTRAB9A

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-20080125586-A1 Optical molecular sensors for cytochrome P450 activity INVITROGEN CORPORATION (US) 2008-05-29 US disclosed
US-20070072256-A1 OPTICAL MOLECULAR SENSORS FOR CYTOCHROME P450 ACTIVITY INVITROGEN CORPORATION 2007-03-29 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-20080125586-A1 Optical molecular sensors for cytochrome P450 activity CYP2J2, CYP1A2, CYP2B6 CYP2C9 21/4885EPHX2 119/4885ALDH1A1 766/4885

“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.