SCHEMBL17577294

SCHEMBL17577294

OBOc1ccc(-c2ccccc2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
IDO1 P14902 1/20 0.41
BACE1 P56817 1/20 0.35
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
MPI P34949 1/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 2/20 0.35
RCE1 Q9Y256 1/20 0.35
PTGDR2 Q9Y5Y4 6/20 0.35
PLG P00747 1/20 0.35
BCL2L1 Q07817 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACACA Q13085 1/20 0.33

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
SCHEMBL17522032 0.88 CYP2D6 (0.38) CYP2D6MEN1KMT2AMAPK1MAP2K1
SCHEMBL17522045 0.83 CYP2D6 (0.35) CYP2D6IDO1ALOX5ALDH1A1HPGD
SCHEMBL26815293 0.83 ALOX15 (0.40) CYP2D6MEN1MAPTKMT2ARAB9A
SCHEMBL25818659 0.81 PPARG (0.39) BACE1ALOX5ALDH1A1HPGDKDM4E
SCHEMBL430239 0.78 TDP1 (0.49) ALDH1A1HPGDKDM4EMAPTRAB9A
SCHEMBL12586093 0.77 KDM4E (0.35) CYP2D6ALDH1A1KDM4EMAPTKMT2A
SCHEMBL3437804 0.76 CRHBP (0.46) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL10252066 0.75 TRPM4 (0.40) CYP2D6ALDH1A1HPGDKDM4EMEN1
SCHEMBL15908020 0.74 GPR84 (0.40) IDO1ALDH1A1KDM4EMEN1MPI
SCHEMBL15449549 0.74 PKM (0.49) IDO1ALDH1A1HPGDMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160072072-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-10 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-20160072072-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CCNE2, CCNL2, CCNT1 CYP2D6 1889/4885IDO1 3138/4885BACE1 485/4885

“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.