SCHEMBL14904698

SCHEMBL14904698

O=[N+]([O-])c1ccc(-c2[nH]c3cc4c(-c5ccccc5)c(-c5ccc([N+](=O)[O-])cc5)[nH]c4cc3c2-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
ESR1 P03372 3/20 0.51
ESR2 Q92731 3/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
FASN P49327 1/20 0.50
PTGS2 P35354 10/20 0.49
TNKS O95271 1/20 0.47
GUSB P08236 1/20 0.47
NLRP3 Q96P20 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
CYP19A1 P11511 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
SCHEMBL16454839 0.90 ESR1 (0.67) MAPTESR1ESR2MEN1KMT2A
SCHEMBL14904707 0.87 KMT2A (0.46) MAPTESR1ESR2MEN1KMT2A
SCHEMBL18610257 0.82 ESR1 (0.73) MAPTESR1ESR2PTGS2
SCHEMBL9666436 0.80 ALDH1A1 (0.65) MAPTMEN1KMT2AL3MBTL1FASN
SCHEMBL2290102 0.80 MEN1 (0.58) MAPTMEN1KMT2AFASNPTGS2
SCHEMBL2284222 0.80 MAPK13 (0.54) MAPTESR1ESR2MEN1KMT2A
SCHEMBL15094561 0.78 ESR1 (0.58) MAPTESR1ESR2MEN1KMT2A
SCHEMBL12905942 0.77 ESR1 (0.66) MAPTESR1ESR2PTGS2
SCHEMBL31014298 0.77 FASN (0.57) MAPTMEN1KMT2AFASNTNKS
SCHEMBL15618137 0.77 ALDH1A1 (0.53) MAPTESR1ESR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170069850-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-09 US disclosed
US-20130105769-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-05-02 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-20130105769-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNT1, CCNE2 MAPT 1775/4885ESR1 23/4885ESR2 59/4885

“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.