SCHEMBL4313202

SCHEMBL4313202

CC[C]1CC=Cc2cc(CC)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRPA1 O75762 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
BRD4 O60885 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
TP53 P04637 1/20 0.31
MGLL Q99685 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR5 Q9H228 1/20 0.30
PDK2 Q15119 1/20 0.30

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
SCHEMBL6904988 0.76 TRPA1 (0.38) ALDH1A1NPC1LMNAMAPTMAPK1
SCHEMBL918007 0.76 SETD7 (0.38) ALDH1A1LMNAMAPTCYP1A2TP53
SCHEMBL6909944 0.72 TRPA1 (0.38) ALDH1A1NPC1LMNAMAPTMAPK1
SCHEMBL24021252 0.70 ALDH1A1 (0.44) ALDH1A1NPC1LMNAMAPTMAPK1
SCHEMBL2035849 0.68 ALDH1A1 (0.47) ALDH1A1NPC1LMNAMAPTMAPK1
SCHEMBL10311345 0.66 PTPRC (0.53) ALDH1A1NPC1LMNAMAPTMAPK1
SCHEMBL6914459 0.66 CNR1 (0.40) MGLLPDK2
SCHEMBL18243518 0.66 SETD7 (0.36) ALDH1A1LMNAMAPTCYP1A2TP53
SCHEMBL29923722 0.64 BRD4 (0.38) ALDH1A1NPC1LMNAMAPTMAPK1
SCHEMBL12319722 0.64 PARP1 (0.41) NPC1MAPTRAB9ATRPA1CYP1A2

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 ALDH1A1 148/4885NPC1 342/4885LMNA 840/4885

“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.