SCHEMBL715027

SCHEMBL715027

Cc1ccc(-c2[c]cccc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
HPGDS O60760 1/20 0.41
PDK2 Q15119 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
ELANE P08246 1/20 0.34
PTGS2 P35354 2/20 0.33
TDO2 P48775 1/20 0.33
GBA1 P04062 1/20 0.33
USP1 O94782 1/20 0.32
WDR48 Q8TAF3 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4714707 0.81 NPC1 (0.35) NPC1RAB9A
SCHEMBL27765816 0.79 MAP4K4 (0.44) NPC1RAB9ACYP1A2PIK3CDPIK3CA
SCHEMBL3741986 0.79 CYP2A6 (0.46) NPC1RAB9ACYP2A6PIK3CDCHRNB2
SCHEMBL27890418 0.79 MEN1 (0.31) NPC1RAB9A
SCHEMBL38536 0.79 CYP2A6 (0.49) NPC1PKMCYP2A6PIK3CDPIK3CA
SCHEMBL28339730 0.79 APP (0.41) NPC1PKMRAB9ATDO2GAA
SCHEMBL28586219 0.78 HPGDS (0.46) NPC1RAB9AHPGDSCHRNB2CHRNB4
SCHEMBL67548 0.75 ACHE (0.38) NPC1RAB9A
SCHEMBL18421975 0.75 CHEK1 (0.43) PIK3CDPIK3CAPIK3CBPI4KBPDE10A
SCHEMBL38500 0.74 CYP2A6 (0.54) NPC1RAB9ACYP1A2CYP2A6HSD17B10

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-8771843-B2 Fluorene derivative, organic compound, and light-emitting element, light-emitting device, and electronic device using the compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-07-08 US disclosed
US-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-01 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-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound AFF2, MAPRE2, AFF4 NPC1 2154/4885PKM 3390/4885RAB9A 440/4885

“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.