SCHEMBL1103714

SCHEMBL1103714

COC(=O)c1ccccc1C(=O)c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
KMT2A Q03164 3/20 0.68
HSD17B10 Q99714 3/20 0.54
KDM4E B2RXH2 6/20 0.53
USP2 O75604 1/20 0.52
LMNA P02545 2/20 0.52
TSHR P16473 2/20 0.52
POLB P06746 1/20 0.51
ATM Q13315 1/20 0.51
TP53 P04637 1/20 0.50
HPGD P15428 2/20 0.49
MAPT P10636 1/20 0.49
PLOD2 O00469 1/20 0.49
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL21250191 0.87 ALDH1A1 (0.62) ALDH1A1KMT2AHSD17B10KDM4EUSP2
SCHEMBL16535021 0.84 ALDH1A1 (0.62) ALDH1A1KMT2AHSD17B10KDM4ELMNA
SCHEMBL1720792 0.82 KDM4E (0.56) ALDH1A1KMT2AHSD17B10KDM4ELMNA
Methyl Nicotinate SCHEMBL29386553 0.81 ALDH1A1 (1.00) ALDH1A1KMT2AHSD17B10LMNATSHR
Methyl Nicotinate SCHEMBL24566 0.81 ALDH1A1 (1.00) ALDH1A1KMT2AHSD17B10LMNATSHR
SCHEMBL28000 0.81 TSHR (0.63) ALDH1A1KMT2AHSD17B10KDM4ELMNA
Methyl Nicotinate SCHEMBL820747 0.81 ALDH1A1 (1.00) ALDH1A1KMT2AHSD17B10LMNATSHR
SCHEMBL29363206 0.81 TSHR (0.63) ALDH1A1KMT2AHSD17B10KDM4ELMNA
SCHEMBL27840685 0.81 TSHR (0.63) ALDH1A1KMT2AHSD17B10KDM4ELMNA
SCHEMBL30509674 0.81 KMT2A (0.59) ALDH1A1KMT2AKDM4ELMNATSHR

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-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-7888863-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2011-02-15 US disclosed
US-7888863-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2011-02-15 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
US-20090260686-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-10-22 US disclosed
US-20090260686-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-10-22 US disclosed
CN-1045962-C Pyridopyridazinone or pyridinopyridazinethione compounds, intermediates for their preparation, pharmaceutical compositions containing them and their use SYNTEX INC (US) 1999-10-27 CN disclosed
CN-1088927-A Benzo and pyrido pyridazinone and pyridazinthione compounds SYNTEX A INC (US) 1994-07-06 CN 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 (2 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-20090260686-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, FZD7 ALDH1A1 706/4885KMT2A 4000/4885HSD17B10 1527/4885
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 ALDH1A1 1015/4885KMT2A 3930/4885HSD17B10 2186/4885

“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.