SCHEMBL9914796

SCHEMBL9914796

Brc1cccc(-c2ccc(-c3ccccc3)s2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 6/20 0.59
HSD17B2 P37059 6/20 0.59
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
NQO2 P16083 2/20 0.46
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
PRKDC P78527 1/20 0.44
HDAC1 Q13547 1/20 0.44
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2B6 P20813 1/20 0.44

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
SCHEMBL12700852 0.98 HSD17B1 (0.57) HSD17B1HSD17B2RAB9ANPC1TSHR
SCHEMBL12700863 0.85 CYP2A6 (0.48) HSD17B1HSD17B2RAB9ASMN1; SMN2TP53
SCHEMBL9196846 0.85 SNCA (0.53) HSD17B1HSD17B2RAB9ANPC1TSHR
SCHEMBL12700918 0.84 CYP2A6 (0.47) HSD17B1HSD17B2RAB9ASMN1; SMN2TP53
SCHEMBL14190034 0.84 HSD17B1 (0.71) HSD17B1HSD17B2RAB9ANQO2HDAC1
SCHEMBL10041710 0.82 ALDH1A1 (0.64) HSD17B1HSD17B2RAB9ANPC1SMN1; SMN2
SCHEMBL1817967 0.82 CNR1 (0.44) HSD17B1HSD17B2RAB9ANPC1TSHR
SCHEMBL498650 0.81 HSD17B1 (0.65) HSD17B1HSD17B2RAB9ANPC1NQO2
SCHEMBL14192244 0.80 ALDH1A1 (0.68) HSD17B1HSD17B2RAB9ANPC1SMN1; SMN2
SCHEMBL12700858 0.80 ALDH1A1 (0.61) HSD17B1HSD17B2RAB9ANPC1SMN1; 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 35 patents — showing the first 20. 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-20110127495-A1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 US disclosed
US-7919196-B2 Emitting materials and organic light emitting device using the same LG CHEM, LTD. (KR) 2011-04-05 US disclosed
US-7919196-B2 Emitting materials and organic light emitting device using the same LG CHEM, LTD. (KR) 2011-04-05 US disclosed
US-20100244008-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM, LTD. (KR) 2010-09-30 US disclosed
US-20100244008-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM, LTD. (KR) 2010-09-30 US disclosed
WO-2009061156-A1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM, LTD. (KR) 2009-05-14 WO disclosed
US-20090021149-A1 Emitting Materials and Organic Light Emitting Device Using the Same LG CHEM. LTD. (KR) 2009-01-22 US disclosed
US-20090021149-A1 Emitting Materials and Organic Light Emitting Device Using the Same LG CHEM. LTD. (KR) 2009-01-22 US disclosed
US-20070202355-A1 Emitting material and organic light emitting diode using the same LG CHEM. LTD. (KR) 2007-08-30 US disclosed
US-20070202355-A1 Emitting material and organic light emitting diode using the same LG CHEM. LTD. (KR) 2007-08-30 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 (4 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 HSD17B1 2632/4885HSD17B2 1893/4885RAB9A 3792/4885
US-20090021149-A1 Emitting Materials and Organic Light Emitting Device Using the Same CRY1, CRY2, PER2 HSD17B1 3604/4885HSD17B2 3299/4885RAB9A 3647/4885
US-20110127495-A1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME PPOX, CYBA, CRY1 HSD17B1 1749/4885HSD17B2 1347/4885RAB9A 3327/4885
US-20100244008-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CRY1, PPOX, CRY2 HSD17B1 1779/4885HSD17B2 1417/4885RAB9A 3141/4885

“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.