SCHEMBL17570276

SCHEMBL17570276

CC(C)C(C)C(C)c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C(C)C(C)C(C)C)nc3c2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.35
LTB4R Q15722 1/20 0.34
ALDH1A1 P00352 5/20 0.33
MAPT P10636 4/20 0.33
ACACA Q13085 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
MPI P34949 1/20 0.33
RARA P10276 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
PSMB5 P28074 1/20 0.32
USP2 O75604 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
SCHEMBL31357488 0.83 METAP2 (0.42) METAP2ALDH1A1MAPTACACAMEN1
SCHEMBL5411729 0.79 METAP2 (0.39) METAP2ALDH1A1MAPTACACAMEN1
SCHEMBL14560822 0.76 SLC6A2 (0.39) METAP2ALDH1A1MAPTACACAMEN1
SCHEMBL13883285 0.75 TOP2A (0.41) METAP2ALDH1A1MAPTMEN1KMT2A
SCHEMBL14560809 0.75 KDM4E (0.38) METAP2ALDH1A1MAPTMEN1KMT2A
SCHEMBL14560803 0.75 RARA (0.36) METAP2ALDH1A1MAPTACACAMEN1
SCHEMBL14560815 0.75 KDM4E (0.39) METAP2ALDH1A1MAPTMEN1KMT2A
SCHEMBL20286671 0.74 MAOA (0.42) METAP2ALDH1A1MAPTACACAMEN1
SCHEMBL14560820 0.74 PSMB5 (0.43) METAP2ALDH1A1MAPTACACAMEN1
SCHEMBL14560829 0.74 RARA (0.42) ALDH1A1RARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3001474-B1 CHARGE-TRANSPORTING THIN FILM KONICA MINOLTA INC (JP) 2019-11-13 EP disclosed
US-10002685-B2 Charge-transporting thin film Konica Minolta, Inc. (JP) 2018-06-19 US disclosed
US-10002685-B2 Charge-transporting thin film Konica Minolta, Inc. (JP) 2018-06-19 US disclosed
US-9991453-B2 Electronic device, organic electroluminescent element, organic thin-film solar cell, and dye-sensitized solar cell Konica Minolta, Inc. (JP) 2018-06-05 US disclosed
US-9991453-B2 Electronic device, organic electroluminescent element, organic thin-film solar cell, and dye-sensitized solar cell Konica Minolta, Inc. (JP) 2018-06-05 US disclosed
EP-3001474-A1 CHARGE-TRANSPORTING THIN FILM Konica Minolta, Inc. (JP) 2016-03-30 EP disclosed
US-20160079548-A1 ELECTRONIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC THIN-FILM SOLAR CELL, AND DYE-SENSITIZED SOLAR CELL MERCK PATENT GMBH (DE) 2016-03-17 US disclosed
US-20160071625-A1 CHARGE-TRANSPORTING THIN FILM UDC IRELAND LIMITED (IE) 2016-03-10 US disclosed
US-20160071625-A1 CHARGE-TRANSPORTING THIN FILM UDC IRELAND LIMITED (IE) 2016-03-10 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-20160079548-A1 ELECTRONIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC THIN-FILM SOLAR CELL, AND DYE-SENSITIZED SOLAR CELL CDH1, EPCAM, SLC7A5 METAP2 2666/4885LTB4R 2652/4885ALDH1A1 2500/4885

“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.