SCHEMBL9971852

SCHEMBL9971852

Nc1c2ccccc2c(/C=C/c2ccccc2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.52
MAOA P21397 3/20 0.52
CYP19A1 P11511 2/20 0.52
NFE2L2 Q16236 2/20 0.47
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
GLA P06280 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
NQO2 P16083 1/20 0.41
DRD1 P21728 1/20 0.41
ACHE P22303 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL4304901 0.89 NFE2L2 (0.56) MAOBMAOACYP19A1NFE2L2KMT2A
SCHEMBL30129708 0.89 NFE2L2 (0.56) MAOBMAOACYP19A1NFE2L2KMT2A
SCHEMBL4304905 0.89 NFE2L2 (0.56) MAOBMAOACYP19A1NFE2L2KMT2A
SCHEMBL4288335 0.86 NFE2L2 (0.54) MAOBMAOACYP19A1NFE2L2KMT2A
SCHEMBL28604671 0.85 CYP19A1 (0.75) MAOBMAOACYP19A1NFE2L2NQO2
SCHEMBL10950815 0.80 CYP19A1 (0.67) MAOBMAOACYP19A1NFE2L2NQO2
SCHEMBL10950803 0.80 CYP19A1 (0.67) MAOBMAOACYP19A1NFE2L2NQO2
SCHEMBL4152837 0.80 CYP19A1 (0.67) MAOBMAOACYP19A1NFE2L2NQO2
SCHEMBL8850940 0.79 MAOB (0.40) MAOBMAOACYP19A1NFE2L2KDM4E
SCHEMBL9971876 0.78 NFE2L2 (0.47) MAOBMAOACYP19A1NFE2L2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 US disclosed
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 US disclosed
US-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2011-07-21 US disclosed
US-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2011-07-21 US disclosed
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-06-24 US disclosed
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-06-24 US disclosed
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD (JP) 2007-06-21 US disclosed
EP-1775335-A2 Organic lectroluminescent element IDEMITSU KOSAN COMPANY LIMITED (JP) 2007-04-18 EP 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 (4 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-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 MAOB 739/4885MAOA 1500/4885CYP19A1 1811/4885
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 MAOB 739/4885MAOA 1500/4885CYP19A1 1811/4885
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE ARL1, RIF1, EML4 MAOB 1485/4885MAOA 1025/4885CYP19A1 788/4885
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 MAOB 739/4885MAOA 1500/4885CYP19A1 1811/4885

“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.