SCHEMBL16940904

SCHEMBL16940904

CC1(C)c2cc(-c3ccccc3[N+](=O)[O-])ccc2-c2cc3c4ccccc4c4ccccc4c3cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
ADORA1 P30542 1/20 0.40
LMNA P02545 1/20 0.38
HPRT1 P00492 1/20 0.38
MAPT P10636 3/20 0.37
MAOB P27338 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
ALPL P05186 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EIF4E P06730 2/20 0.35
TSHR P16473 1/20 0.35
ADAMTS4 O75173 1/20 0.35
GUSB P08236 1/20 0.34
F2 P00734 1/20 0.34
C1R P00736 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL17071057 0.93 ALDH1A1 (0.43) ALDH1A1TDP1ADORA1LMNAHPRT1
SCHEMBL31617 0.88 ALDH1A1 (0.51) ALDH1A1TDP1ADORA1MAPTMAOB
SCHEMBL15801407 0.87 S100A4 (0.36) ALDH1A1TDP1LMNAHPRT1MAPT
SCHEMBL18326924 0.86 SMN1; SMN2 (0.35) ALDH1A1TDP1ADORA1HPRT1MAPT
SCHEMBL12928100 0.84 ALDH1A1 (0.48) ALDH1A1TDP1ADORA1MAPTMAOB
SCHEMBL1760541 0.83 ALDH1A1 (0.46) ALDH1A1TDP1ADORA1MAPTMAOB
SCHEMBL18770232 0.82 ALDH1A1 (0.43) ALDH1A1TDP1ADORA1LMNAMAPT
SCHEMBL20175733 0.82 ALDH1A1 (0.51) ALDH1A1TDP1ADORA1LMNAHPRT1
SCHEMBL12178083 0.81 ALDH1A1 (0.44) ALDH1A1TDP1ADORA1MAPTMAOB
SCHEMBL24730947 0.80 HSD11B1 (0.46) ALDH1A1TDP1ADORA1MAPTMEN1

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
EP-3042944-B1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE LUMINESCENCE TECH CORP (TW) 2017-05-10 EP disclosed
US-20160380207-A1 TRIPHENYLENE-BASED FUSED BISCARBAZOLE DERIVATIVE AND USE THEREOF LUMINESCENCE TECHNOLOGY CORP. (TW) 2016-12-29 US disclosed
EP-3042944-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE Luminescence Technology Corp. (TW) 2016-07-13 EP disclosed
US-9190619-B2 Compound for organic electroluminescence device LUMINESCENCE TECHNOLOGY CORP (TW) 2015-11-17 US disclosed
US-9190619-B2 Compound for organic electroluminescence device LUMINESCENCE TECHNOLOGY CORP (TW) 2015-11-17 US disclosed
US-20150214492-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE LUMINESCENCE TECHNOLOGY CORP (TW) 2015-07-30 US disclosed
US-20150214492-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE LUMINESCENCE TECHNOLOGY CORP (TW) 2015-07-30 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 (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-20150214492-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLCO4C1, LEF1, SLCO2B1 ALDH1A1 2542/4885TDP1 4065/4885ADORA1 3021/4885
US-20160380207-A1 TRIPHENYLENE-BASED FUSED BISCARBAZOLE DERIVATIVE AND USE THEREOF CCNT1, CCNE1, CCNE2 ALDH1A1 771/4885TDP1 1458/4885ADORA1 3282/4885

“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.