SCHEMBL12048752

SCHEMBL12048752

COc1cccc(N(C)c2ccc3ccccc3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.55
MTNR1B P49286 9/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2A6 P11509 1/20 0.55
NQO2 P16083 1/20 0.44
KDM4C Q9H3R0 1/20 0.43
HSD17B2 P37059 2/20 0.42
HSD17B1 P14061 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
PGR P06401 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL12047979 0.92 MTNR1A (0.52) MTNR1AMTNR1BCYP1A2CYP2A6NQO2
SCHEMBL12047826 0.91 MTNR1A (0.51) MTNR1AMTNR1BCYP1A2CYP2A6KDM4C
SCHEMBL12048458 0.89 MTNR1A (0.49) MTNR1AMTNR1BCYP1A2CYP2A6KDM4C
SCHEMBL12048332 0.87 MTNR1A (0.48) MTNR1AMTNR1BCYP1A2CYP2A6KDM4C
SCHEMBL1134082 0.87 MTNR1A (0.61) MTNR1AMTNR1BHSD17B2HSD17B1ACHE
SCHEMBL30054343 0.87 MTNR1A (0.61) MTNR1AMTNR1BHSD17B2HSD17B1ACHE
SCHEMBL12048557 0.86 MTNR1A (0.47) MTNR1AMTNR1BCYP1A2CYP2A6KDM4C
SCHEMBL12048046 0.86 MTNR1A (0.47) MTNR1AMTNR1BCYP1A2CYP2A6KDM4C
SCHEMBL12048751 0.86 CYP1A2 (0.59) MTNR1AMTNR1BCYP1A2CYP2A6NQO2
SCHEMBL1134087 0.85 MTNR1A (0.60) MTNR1AMTNR1BHSD17B2HSD17B1ACHE

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9028977-B2 Compound, method for preparing same and organic electronic device using same LG CHEM, LTD. (KR) 2015-05-12 US disclosed
US-9028977-B2 Compound, method for preparing same and organic electronic device using same LG CHEM, LTD. (KR) 2015-05-12 US disclosed
US-8968884-B2 Compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2015-03-03 US disclosed
US-8410475-B2 Compounds and organic light emitting diode using the same LG CHEM, LTD. (KR) 2013-04-02 US disclosed
US-8410475-B2 Compounds and organic light emitting diode using the same LG CHEM, LTD. (KR) 2013-04-02 US disclosed
US-8071227-B2 Compounds and organic light emitting diode using the same LG CHEM, LTD. (KR) 2011-12-06 US disclosed
US-8071227-B2 Compounds and organic light emitting diode using the same LG CHEM, LTD. (KR) 2011-12-06 US disclosed
US-20110168992-A1 NOVEL COMPOUND, METHOD FOR PREPARING SAME AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2011-07-14 US disclosed
US-20110168992-A1 NOVEL COMPOUND, METHOD FOR PREPARING SAME AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2011-07-14 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-20080303434-A1 Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2008-12-11 US disclosed
US-20080303434-A1 Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2008-12-11 US disclosed
US-20080008907-A1 Compound And Organic Light Emitting Device Using The Same LG CHEM, LTD. (PROSECUTION) (KR) 2008-01-10 US disclosed
US-20080008907-A1 Compound And Organic Light Emitting Device Using The Same LG CHEM, LTD. (PROSECUTION) (KR) 2008-01-10 US disclosed
US-20070292715-A1 New Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2007-12-20 US disclosed
US-20070292715-A1 New Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2007-12-20 US disclosed
US-20070262706-A1 New Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2007-11-15 US disclosed
US-20070262706-A1 New Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2007-11-15 US disclosed
US-20070247059-A1 Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2007-10-25 US disclosed
US-20070247059-A1 Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2007-10-25 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-20110127495-A1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME PPOX, CYBA, CRY1 MTNR1A 3338/4885MTNR1B 3357/4885CYP1A2 726/4885
US-20080303434-A1 Compound and Organic Light Emitting Device Using the Same PPOX, CRY1, CRY2 MTNR1A 2693/4885MTNR1B 2739/4885CYP1A2 1160/4885
US-20110168992-A1 NOVEL COMPOUND, METHOD FOR PREPARING SAME AND ORGANIC ELECTRONIC DEVICE USING SAME OR10J3, USE1, NOTUM MTNR1A 4671/4885MTNR1B 4497/4885CYP1A2 967/4885
US-20070247059-A1 Compound and Organic Light Emitting Device Using the Same PPOX, CRY1, CRY2 MTNR1A 2693/4885MTNR1B 2739/4885CYP1A2 1160/4885

“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.