SCHEMBL4313206

SCHEMBL4313206

CCc1ccc2c(CC)[c]ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
KIF11 P52732 1/20 0.36
TRPA1 O75762 1/20 0.35
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
PTK2B Q14289 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
ELANE P08246 2/20 0.32
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL5745901 0.76 CYP1A2 (0.39) CYP1A2CYP2A6NPC1RAB9ASMN1; SMN2
SCHEMBL455640 0.75 CYP2A6 (0.39) CYP1A2CYP2A6ALDH1A1
SCHEMBL7843943 0.68 CYP1A2 (0.54) CYP1A2CYP2A6KIF11TRPA1NPC1
SCHEMBL347592 0.67 CYP2A6 (0.80) CYP1A2CYP2A6KIF11TRPA1NPC1
SCHEMBL29407167 0.67 CYP2A6 (0.80) CYP1A2CYP2A6KIF11TRPA1NPC1
SCHEMBL1371504 0.67 CYP2A6 (0.57) CYP1A2CYP2A6KIF11TRPA1NPC1
SCHEMBL598696 0.67 CYP1A2 (0.69) CYP1A2CYP2A6KIF11ALDH1A1GAA
SCHEMBL3159449 0.67 NCEH1 (0.37) NPC1RAB9ASMN1; SMN2
SCHEMBL1225845 0.67 ALDH1A1 (0.37) CYP1A2RAB9AALDH1A1LMNAMEN1
SCHEMBL7657320 0.65 CYP1A2 (0.50) CYP1A2CYP2A6KIF11TRPA1NPC1

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-7569694-B2 Coumarin compound, material for light emitting device and organic electroluminescent device CHISSO CORPORATION (JP) 2009-08-04 US disclosed
US-20070176544-A1 Coumarin compound, material for light emitting device and organic electroluminescent device JNC CORPORATION (JP) 2007-08-02 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-20070176544-A1 Coumarin compound, material for light emitting device and organic electroluminescent device TRPA1, CYP3A4, UGT1A10 CYP1A2 18/4885CYP2A6 294/4885KIF11 1655/4885

“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.