SCHEMBL12249552

SCHEMBL12249552

Cc1cc(C)cc(N(C)c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 2/20 0.41
TSPO P30536 1/20 0.41
TAAR1 Q96RJ0 2/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
NR3C2 P08235 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PSMB5 P28074 2/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL18932613 0.88 RXRA (0.44) CHKATSPOHSD17B1HSD17B2CYP3A4
SCHEMBL5604652 0.87 TSPO (0.46) CHKATSPOLMNAHTTSMN1; SMN2
SCHEMBL13175091 0.86 HSD17B1 (0.39) CHKATSPOTAAR1HSD17B1HSD17B2
SCHEMBL12249808 0.85 ALDH1A1 (0.48) CHKATAAR1TDP1LMNASMN1; SMN2
SCHEMBL6723957 0.85 ALDH1A1 (0.50) CHKATAAR1CYP3A4HSD17B10TDP1
SCHEMBL6723783 0.85 ALDH1A1 (0.50) CHKATAAR1CYP3A4HSD17B10TDP1
SCHEMBL12249883 0.85 ALDH1A1 (0.50) CHKATAAR1CYP3A4HSD17B10TDP1
SCHEMBL6723671 0.85 ALDH1A1 (0.50) CHKATAAR1CYP3A4HSD17B10TDP1
SCHEMBL13241962 0.85 CHKA (0.43) CHKATSPOHSD17B1HSD17B2HTT
SCHEMBL13367611 0.85 HSD17B1 (0.50) CHKAHSD17B1HSD17B2TDP1SMN1; SMN2

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
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
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 CHKA 4476/4885TSPO 1478/4885TAAR1 3189/4885
US-20110210318-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING SAME OR51E2, OR10J3, EML4 CHKA 4532/4885TSPO 1827/4885TAAR1 3338/4885

“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.