SCHEMBL10073214

SCHEMBL10073214

CC(C)n1c2c(c3ccccc31)C=CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
POLB P06746 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
SIGMAR1 Q99720 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
NPY5R Q15761 5/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 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
SCHEMBL13264860 0.85 ALDH1A1 (0.33) MAPTTSHRMAPK1CASP1CASP7
SCHEMBL14024612 0.79 GPR3 (0.45) MAPTTSHRMAPK1CYP1A2ALDH1A1
SCHEMBL31434384 0.79 GPR3 (0.45) MAPTTSHRMAPK1CYP1A2ALDH1A1
SCHEMBL12693333 0.78
SCHEMBL21430895 0.77 CCNA2 (0.36) MAPTTSHRMAPK1CASP1CASP7
SCHEMBL19268883 0.76 MAPT (0.37) MAPTTSHRMAPK1CASP1CASP7
SCHEMBL21387946 0.76
SCHEMBL19784884 0.76
SCHEMBL17381333 0.75 TSHR (0.39) MAPTTSHRMAPK1CASP1CASP7
SCHEMBL26407841 0.75 KDM4E (0.47) MAPTTSHRMAPK1CASP1CASP7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015998-A1 PHOTOTHERAPY METHODS AND DEVICES COMPRISING EMISSIVE ARYL-HETEROARYL COMPOUNDS NITTO DENKO CORPORATION (JP) 2012-01-19 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-20120015998-A1 PHOTOTHERAPY METHODS AND DEVICES COMPRISING EMISSIVE ARYL-HETEROARYL COMPOUNDS ARNT, AHR, AR MAPT 1678/4885TSHR 1418/4885MAPK1 2863/4885

“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.