SCHEMBL2801634

SCHEMBL2801634

Cc1cccc(-c2nc(-c3ccc(CCCn4c5ccccc5c5ccccc54)cc3)nc(-c3cccc(C)c3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.46
MAPT P10636 3/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
NR1I3 Q14994 1/20 0.41
SMPD1 P17405 2/20 0.40
HDAC6 Q9UBN7 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
HSD11B1 P28845 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 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
SCHEMBL13231842 0.85 TP53 (0.44) TP53HSD11B1
SCHEMBL2801396 0.78 ALDH1A1 (0.48) MAPTSIGMAR1SMPD1HDAC6ALDH1A1
SCHEMBL13264322 0.77 SIRT2 (0.36) TP53RAB9ANPC1MAPK1TDP1
SCHEMBL21901591 0.76 TSPO (0.46) SMPD1HDAC6KMT2AMEN1ALDH1A1
SCHEMBL18216916 0.76 RAB9A (0.50) TP53MAPTRAB9ANPC1MAPK1
SCHEMBL22519625 0.76 NR1I3 (0.47) TP53MAPTRAB9AMAPK1L3MBTL1
SCHEMBL21901592 0.75 HSD11B1 (0.51) MAPTALDH1A1HSD11B1LMNA
SCHEMBL18705844 0.75 NR1I3 (0.49) TP53MAPTRAB9AMAPK1L3MBTL1
SCHEMBL13231784 0.74 HSD11B1 (0.43) TP53RAB9ANPC1SIGMAR1ALDH1A1
SCHEMBL17943551 0.74 NR1I3 (0.48) TP53MAPTRAB9AMAPK1L3MBTL1

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
US-9040718-B2 Hybrid host materials for electrophosphorescent devices THE UNIVERSITY OF ROCHESTER (US) 2015-05-26 US disclosed
WO-2010085676-A1 HYBRID HOST MATERIALS FOR ELECTROPHOSPHORESCENT DEVICES UNIVERSITY OF ROCHESTER (US) 2010-07-29 WO disclosed
US-20100184942-A1 Hybrid Host Materials For Electrophosphorescent Devices THE UNIVERSITY OF ROCHESTER 2010-07-22 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-20100184942-A1 Hybrid Host Materials For Electrophosphorescent Devices SLC29A2, SLC43A3, SLC29A1 TP53 3174/4885MAPT 218/4885RAB9A 560/4885

“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.