SCHEMBL714992

SCHEMBL714992

Cc1nc2ncccc2cc1-c1[c]cccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CCR1 P32246 3/20 0.34
CCR8 P51685 3/20 0.34
CCR5 P51681 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE2A O00408 1/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MMP2 P08253 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 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
SCHEMBL715117 0.79 CCR1 (0.37) BACE1CCR1CCR8L3MBTL1ALDH1A1
SCHEMBL5100088 0.76 MKNK1 (0.39) PDE2ATDP1CYP2A6
SCHEMBL714993 0.76 PSMB5 (0.36) BACE1KCNH2HRH3CCR1CCR8
SCHEMBL716130 0.73 PIK3CA (0.37) CCR1CCR8CCR5L3MBTL1ALDH1A1
SCHEMBL713792 0.72 ALDH1A1 (0.41) CCR1CCR8CCR5ALDH1A1KDM4E
SCHEMBL713926 0.70 KDM4E (0.50) CCR1CCR8CCR5L3MBTL1ALDH1A1
SCHEMBL714485 0.70 TGFBR1 (0.40) ALDH1A1KDM4ELMNATP53HSP90AA1
SCHEMBL9385457 0.70 CCR1 (0.48) CCR1CCR8CCR5L3MBTL1ALDH1A1
SCHEMBL29361060 0.67 CASP6 (0.44) CCR1CCR8CCR5L3MBTL1ALDH1A1
SCHEMBL28723297 0.67 CASP6 (0.44) CCR1CCR8CCR5L3MBTL1ALDH1A1

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 BACE1 2339/4885KCNH2 329/4885HRH3 2698/4885

“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.