SCHEMBL4130397

SCHEMBL4130397

COC(F)(F)Oc1ccc(C=O)cc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
AOX1 Q06278 1/20 0.63
TRIM24 O15164 1/20 0.50
HPGD P15428 1/20 0.50
ALDH5A1 P51649 1/20 0.50
ABAT P80404 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PTGS2 P35354 1/20 0.46
RAB9A P51151 1/20 0.46
TTR P02766 2/20 0.46
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
FDPS P14324 1/20 0.41
APP P05067 1/20 0.41
TUBB1 Q9H4B7 7/20 0.40
ALOX5 P09917 1/20 0.39
NQO1 P15559 1/20 0.39

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
SCHEMBL24445666 0.83 ALDH1A1 (0.61) ALDH1A1AOX1TRIM24HPGDALDH5A1
SCHEMBL20869201 0.80 ALDH1A1 (0.66) ALDH1A1AOX1TRIM24HPGDALDH5A1
SCHEMBL1414751 0.78 ALDH1A1 (0.54) ALDH1A1AOX1TRIM24HPGDALDH5A1
Isovanillin SCHEMBL1535672 0.78 ALDH1A1 (1.00) ALDH1A1AOX1TRIM24HPGDALDH5A1
Isovanillin SCHEMBL70256 0.78 ALDH1A1 (1.00) ALDH1A1AOX1TRIM24HPGDALDH5A1
Isovanillin SCHEMBL29396443 0.78 ALDH1A1 (1.00) ALDH1A1AOX1TRIM24HPGDALDH5A1
SCHEMBL27939271 0.77 ALDH1A1 (0.41) ALDH1A1AOX1TRIM24HPGDALDH5A1
SCHEMBL18196640 0.75 ALDH1A1 (0.73) ALDH1A1AOX1TRIM24HPGDALDH5A1
Isovanillin SCHEMBL28052909 0.75 ALDH1A1 (0.93) ALDH1A1AOX1TRIM24HPGDALDH5A1
Isovanillin SCHEMBL8703725 0.73 ALDH1A1 (0.89) ALDH1A1AOX1TRIM24HPGDALDH5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048247-A1 CONDENSED ISOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE TYPE - IV RANBAXY LABORATORIES LIMITED (IN) 2009-02-19 US disclosed
EP-1869054-A2 CONDENSED ISOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE TYPE-IV Ranbaxy Laboratories Limited (IN) 2007-12-26 EP disclosed
WO-2006085212-A2 CONDENSED ISOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED (IN) 2006-08-17 WO 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-20090048247-A1 CONDENSED ISOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE TYPE - IV PDE3B, PDE4A, PDE3A ALDH1A1 894/4885AOX1 241/4885TRIM24 4301/4885

“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.