SCHEMBL1645280

SCHEMBL1645280

Nc1cccc2ccc(-c3cccc4ccccc34)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
KEAP1 Q14145 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NOS1 P29475 1/20 0.45
KDM4E B2RXH2 2/20 0.44
AR P10275 2/20 0.41
DHFR P00374 1/20 0.41
TLR8 Q9NR97 1/20 0.39
PIM1 P11309 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR3A P46098 1/20 0.39
TGFBR1 P36897 1/20 0.38
KDM6B O15054 1/20 0.38
FTO Q9C0B1 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL10032267 0.87 ALDH1A1 (0.50) ALDH1A1HPGDTSHRHSD17B10NOS1
SCHEMBL14900756 0.87 ALDH1A1 (0.50) ALDH1A1HPGDTSHRHSD17B10NOS1
SCHEMBL30414026 0.87 ALDH1A1 (0.50) ALDH1A1HPGDTSHRHSD17B10NOS1
SCHEMBL10032295 0.85 ALDH1A1 (0.49) ALDH1A1HPGDTSHRHSD17B10NOS1
SCHEMBL14884094 0.84 ALDH1A1 (0.47) ALDH1A1HPGDTSHRHSD17B10NOS1
SCHEMBL11366805 0.81 NOS1 (0.54) ALDH1A1HPGDHSD17B10NOS1KDM4E
SCHEMBL10032245 0.81 ENPP3 (0.46) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL17931867 0.79 METAP2 (0.49) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL12949735 0.79 AR (0.63) ALDH1A1HPGDTSHRHSD17B10KDM4E
SCHEMBL989913 0.79 AR (0.57) ALDH1A1HPGDTSHRHSD17B10NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102076816-B Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-10-22 CN disclosed
US-8597798-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2013-12-03 US disclosed
CN-102076816-A Materials for organic electroluminescent devices MERCK PATENT GMBH 2011-05-25 CN disclosed
US-20110095281-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-04-28 US disclosed
US-20110095281-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-04-28 US disclosed
US-20110095281-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-04-28 US disclosed
WO-2010054731-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-05-20 WO 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-20110095281-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SOD1, EPCAM, ICMT ALDH1A1 283/4885HPGD 2548/4885CYP3A4 719/4885

“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.