SCHEMBL2512872

SCHEMBL2512872

CC1(C)c2ccc(Br)cc2-c2nc(-c3ccccc3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.39
NPC1 O15118 2/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 5/20 0.38
KDM4E B2RXH2 4/20 0.38
LMNA P02545 3/20 0.38
TP53 P04637 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
ALDH1A1 P00352 4/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
PDE4B Q07343 1/20 0.36
AGTR1 P30556 1/20 0.36
PRNP P04156 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRA5 P31644 1/20 0.35

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
SCHEMBL80917 0.87 MEN1 (0.39) RAB9ANPC1TSHRMAPTKDM4E
SCHEMBL81165 0.81 KMT2A (0.41) RAB9ATSHRMAPTKDM4ELMNA
SCHEMBL80742 0.79 KMT2A (0.35) RAB9ANPC1MAPTKDM4EKMT2A
SCHEMBL82098 0.79 RARB (0.35) RAB9ANPC1TSHRMAPTKDM4E
SCHEMBL80800 0.79 KMT2A (0.36) RAB9AMAPTKDM4EKMT2AMEN1
SCHEMBL81037 0.79 MLNR (0.34) RAB9ANPC1MAPTKDM4ETP53
SCHEMBL10036759 0.78 KMT2A (0.34) RAB9ANPC1MAPTKDM4ETP53
SCHEMBL80761 0.77 MLNR (0.33) RAB9ANPC1MAPTKDM4EHPGD
SCHEMBL82037 0.77 KMT2A (0.35) RAB9AMAPTKDM4EKMT2AMEN1
SCHEMBL81689 0.77 RARA (0.33) RAB9ANPC1MAPTKDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034944-B2 Benzofluoranthene compound and organic light-emitting device using the compound CANON KABUSHIKI KAISHA (JP) 2011-10-11 US disclosed
US-20090278118-A1 BENZOFLUORANTHENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2009-11-12 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-20090278118-A1 BENZOFLUORANTHENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE COMPOUND XDH, XPO6, PAX3 RAB9A 2913/4885NPC1 4608/4885TSHR 2932/4885

“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.