SCHEMBL716130

SCHEMBL716130

[c]1ccccc1-c1cnc2ncccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
CYP2A6 P11509 1/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
POLB P06746 1/20 0.36
PDGFRB P09619 2/20 0.35
PDGFRA P16234 2/20 0.35
KDM4E B2RXH2 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ACP1 P24666 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CCR1 P32246 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
SCHEMBL713492 0.85 CCR1 (0.50) CYP2A6NPC1RAB9APOLBKDM4E
SCHEMBL714449 0.79 PDGFRB (0.53) PIK3CACYP2A6NPC1RAB9APOLB
SCHEMBL714576 0.76 CYP2A6 (0.37) CYP2A6NPC1RAB9APOLBPDGFRB
SCHEMBL28135503 0.76 NPC1 (0.62) PIK3CACYP2A6NPC1RAB9APOLB
SCHEMBL716131 0.76 PIK3CA (0.41) PIK3CAALOX5APFEN1CYP2A6NPC1
SCHEMBL21295700 0.73 ALDH1A1 (0.46) NPC1RAB9APOLBPDGFRBPDGFRA
SCHEMBL715117 0.73 CCR1 (0.37) NPC1RAB9AKDM4EL3MBTL1ALDH1A1
SCHEMBL714992 0.73 BACE1 (0.35) CYP2A6KDM4EL3MBTL1ALDH1A1CCR1
SCHEMBL28136254 0.72 CCR1 (0.42) NPC1RAB9APOLBKDM4EL3MBTL1
SCHEMBL19916494 0.71 NPC1 (0.50) CYP2A6NPC1RAB9AKDM4E

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 PIK3CA 3930/4885ALOX5AP 4169/4885FEN1 856/4885

“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.