SCHEMBL1950408

SCHEMBL1950408

CC(C)OC(=O)COc1cc(C=O)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ESR1 P03372 1/20 0.40
FDPS P14324 1/20 0.39
TRIM24 O15164 1/20 0.38
HPGD P15428 1/20 0.38
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38

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
SCHEMBL25189420 0.85 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTPOLBKDM4E
SCHEMBL1949588 0.84 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTPOLBKDM4E
SCHEMBL17156171 0.77 MAPT (0.55) ALDH1A1SMN1; SMN2MAPTKDM4EHPGD
SCHEMBL11784059 0.77 MAPT (0.63) ALDH1A1SMN1; SMN2MAPTPOLBKDM4E
SCHEMBL1949826 0.75 MAPT (0.54) ALDH1A1SMN1; SMN2MAPTPOLBKDM4E
SCHEMBL1121313 0.75 ALDH1A1 (0.65) ALDH1A1MAPTPOLBKDM4EFDPS
SCHEMBL20529376 0.75 ALDH1A3 (0.52) ALDH1A1SMN1; SMN2MAPTPOLBFDPS
SCHEMBL29958206 0.75 ALDH1A1 (0.65) ALDH1A1MAPTPOLBKDM4EFDPS
SCHEMBL1950506 0.74 MAPT (0.46) ALDH1A1MAPTPOLBKDM4EESR1
SCHEMBL14784683 0.73 MAPT (0.44) ALDH1A1MAPTPOLBKDM4EESR1

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
EP-2507237-A1 IMIDAZOQUINOLINES WHICH ACT VIA TOLL - LIKE RECEPTORS (TLR) Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-10-10 EP disclosed
WO-2011068233-A1 IMIDAZOQUINOLINES WHICH ACT VIA TOLL - LIKE RECEPTORS (TLR) DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-06-09 WO disclosed
US-20110136801-A1 Novel Compounds DAINIPPON SUMITOMO PHARMA CO. LTD. (JP) 2011-06-09 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-20110136801-A1 Novel Compounds C1R, RB1, CNKSR1 ALDH1A1 173/4885SMN1; SMN2 1340/4885MAPT 3434/4885

“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.