SCHEMBL10021057

SCHEMBL10021057

Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)-c2cccc4c(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc5c-3c24)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
UTS2R Q9UKP6 2/20 0.33
ENPP1 P22413 1/20 0.33
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
SLC6A2 P23975 1/20 0.31

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
SCHEMBL26461359 0.83 ALDH1A1 (0.36) ALDH1A1HPGDTSHRHSD17B10L3MBTL1
SCHEMBL10021051 0.82 MAPT (0.33) ALDH1A1CYP1A2CYP3A4CYP2C9SMN1; SMN2
SCHEMBL25043499 0.82 KDM4E (0.33) ALDH1A1CYP1A2CYP3A4CYP2C9L3MBTL1
SCHEMBL763010 0.80 PTPRC (0.35) ALDH1A1HPGDTSHRHSD17B10SMN1; SMN2
SCHEMBL13222600 0.80 CYP1A2 (0.44) ALDH1A1HPGDTSHRHSD17B10CYP1A2
SCHEMBL16502131 0.79 CA12 (0.44) ALDH1A1HPGDTSHRHSD17B10CYP1A2
SCHEMBL25770683 0.78 CYP1A2 (0.43) ALDH1A1HPGDTSHRHSD17B10CYP1A2
SCHEMBL12431906 0.78 CRHR1 (0.35) ALDH1A1HPGDTSHRHSD17B10CYP1A2
SCHEMBL14025359 0.78 ALDH1A1 (0.31) ALDH1A1HPGDTSHRHSD17B10CYP1A2
SCHEMBL14424678 0.77 CYP1A2 (0.42) ALDH1A1HPGDTSHRHSD17B10CYP1A2

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-8110824-B2 Benzo[a]fluoranthene compound and organic light emitting device using the same CANON KABUSHIKI KAISHA (JP) 2012-02-07 US disclosed
US-8110824-B2 Benzo[a]fluoranthene compound and organic light emitting device using the same CANON KABUSHIKI KAISHA (JP) 2012-02-07 US disclosed
US-20110049479-A1 BENZO[a]FLUORANTHENE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-03-03 US disclosed
US-20110049479-A1 BENZO[a]FLUORANTHENE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-03-03 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-20110049479-A1 BENZO[a]FLUORANTHENE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME AFF1, CYP1A1, CYP1B1 ALDH1A1 80/4885HPGD 3101/4885TSHR 1850/4885

“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.