SCHEMBL12249772

SCHEMBL12249772

Cc1cccc(N(C)c2ccc(-c3cccc4ccccc34)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.45
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
PPARG P37231 5/20 0.38
PPARA Q07869 5/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
PPARD Q03181 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
EGFR P00533 1/20 0.38
CSF1R P07333 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
SCHEMBL13367379 0.88 PPARG (0.47) ENPP3ENPP1CA12CA1CA2
SCHEMBL13289026 0.87 ENPP3 (0.49) ENPP3ENPP1CA12CA1CA2
SCHEMBL14552121 0.84 RXRA (0.41) SIGMAR1EGFRCSF1RKDM4CMAPT
SCHEMBL12914342 0.83 CA12 (0.43) SIGMAR1ENPP3ENPP1CA12CA1
SCHEMBL13367674 0.83 CA12 (0.49) ENPP3ENPP1CA12CA1CA2
SCHEMBL13367493 0.82 CHRNA1 (0.40) SIGMAR1ENPP3ENPP1CA12CA1
SCHEMBL13338765 0.82 PPARG (0.41) SIGMAR1ENPP3ENPP1CA12CA1
SCHEMBL12048428 0.82 SIGMAR1 (0.42) SIGMAR1CYP2C9CYP2C19EGFRCSF1R
SCHEMBL23349386 0.81 PDE5A (0.46) SIGMAR1CA12CA1CA2CA9
SCHEMBL13367443 0.81 MCL1 (0.43) ENPP3ENPP1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2796448-B1 Material for organic electronic device and organic electronic device using the same LG CHEMICAL LTD (KR) 2018-04-25 EP disclosed
US-9722188-B2 Material for organic electronic device, and organic electronic device using the same LG CHEM, LTD. (KR) 2017-08-01 US disclosed
US-9722188-B2 Material for organic electronic device, and organic electronic device using the same LG CHEM, LTD. (KR) 2017-08-01 US disclosed
US-9196845-B2 Material for organic electronic device, and organic electronic device using same LG CHEM, LTD. (KR) 2015-11-24 US disclosed
US-9196845-B2 Material for organic electronic device, and organic electronic device using same LG CHEM, LTD. (KR) 2015-11-24 US disclosed
US-20150333276-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2015-11-19 US disclosed
US-20150333276-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2015-11-19 US disclosed
US-9190618-B2 Material for organic electronic device, and organic electronic device using same LG CHEM, LTD. (KR) 2015-11-17 US disclosed
US-9190618-B2 Material for organic electronic device, and organic electronic device using same LG CHEM, LTD. (KR) 2015-11-17 US disclosed
US-9118023-B2 2015-08-25 US disclosed
US-9118023-B2 2015-08-25 US disclosed
EP-2796448-A1 Material for organic electronic device and organic electronic device using the same LG CHEM, LTD. (KR) 2014-10-29 EP disclosed
US-20140231783-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2014-08-21 US disclosed
US-20140231783-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2014-08-21 US disclosed
US-20110210318-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2011-09-01 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-20150333276-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING THE SAME OR51E2, EED, OR10J3 SIGMAR1 3356/4885ENPP3 511/4885ENPP1 596/4885
US-20110210318-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING SAME OR51E2, OR10J3, EML4 SIGMAR1 3180/4885ENPP3 422/4885ENPP1 446/4885

“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.