SCHEMBL3605317

SCHEMBL3605317

CCOC(=O)c1[nH]c2ccc(OC)cc2c1C(O)(C(=O)OCC)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.63
KDM4E B2RXH2 8/20 0.63
HPGD P15428 6/20 0.63
MAPT P10636 4/20 0.63
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
HSD17B10 Q99714 6/20 0.56
LMNA P02545 5/20 0.56
HTT P42858 1/20 0.56
TUBB4A P04350 3/20 0.53
TUBB P07437 3/20 0.53
TUBA3C P0DPH7 3/20 0.53
TUBA1B P68363 3/20 0.53
TUBA4A P68366 3/20 0.53
TUBB4B P68371 3/20 0.53
TUBB3 Q13509 3/20 0.53
TUBB2A Q13885 3/20 0.53
TUBB8 Q3ZCM7 3/20 0.53
TUBA3E Q6PEY2 3/20 0.53
TUBA1A Q71U36 3/20 0.53

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
SCHEMBL3993248 0.78 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL38665015 0.77 ALDH1A1 (0.78) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL3601368 0.76 MAPT (0.45) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL7130349 0.76 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL8687424 0.74 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL9185784 0.74 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL37221912 0.74 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL7250379 0.74 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL9150374 0.73 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL9185482 0.73 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDMAPTNPC1

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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 ALDH1A1 4118/4885KDM4E 1967/4885HPGD 3544/4885

“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.