SCHEMBL10041276

SCHEMBL10041276

CC(C)(C)c1nc2ccccc2n1-c1cc(-n2c(C(C)(C)C)nc3ccccc32)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSR P00390 6/20 0.52
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
PIK3CB P42338 1/20 0.40
CYP2C9 P11712 1/20 0.40
ADORA2A P29274 1/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOD1 Q9Y239 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
SCHEMBL10041284 0.86 MAPK1 (0.53) GSRMAPK1ALDH1A1KDM4EHPGD
SCHEMBL10041274 0.85 MAPK1 (0.43) GSRMAPK1ALDH1A1KDM4EHPGD
SCHEMBL10041258 0.83 MAPK1 (0.49) GSRMAPK1ALDH1A1KDM4EADORA2A
SCHEMBL12026134 0.80 MAPK1 (0.61) GSRMAPK1ALDH1A1HTTTSHR
SCHEMBL26375547 0.79 HTT (0.61) GSRMAPK1ALDH1A1PIK3CBHTT
SCHEMBL22298452 0.79 GSR (0.52) GSRMAPK1ALDH1A1ADORA2AHTT
SCHEMBL10041280 0.79 MAPK1 (0.41) GSRMAPK1ALDH1A1KDM4EHPGD
SCHEMBL63683 0.79 SLC22A12 (0.46) MAPK1ALDH1A1KDM4EADORA2AHTT
SCHEMBL10041275 0.79 MAPK1 (0.42) GSRMAPK1ALDH1A1KDM4EHPGD
SCHEMBL10041281 0.78 MAPK1 (0.48) GSRMAPK1ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8147987-B2 Organic electroluminescent element and compounds for use in the element FUJIFILM CORPORATION (JP) 2012-04-03 US disclosed
US-8147987-B2 Organic electroluminescent element and compounds for use in the element FUJIFILM CORPORATION (JP) 2012-04-03 US disclosed
US-20070202357-A1 Organic electroluminescent element and compounds for use in the element FUJIFILM CORPORATION (JP) 2007-08-30 US disclosed
US-20070202357-A1 Organic electroluminescent element and compounds for use in the element FUJIFILM CORPORATION (JP) 2007-08-30 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-20070202357-A1 Organic electroluminescent element and compounds for use in the element RPL31, RPL38, RPL39 GSR 2347/4885MAPK1 1465/4885ALDH1A1 2730/4885

“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.