SCHEMBL4516201

SCHEMBL4516201

COc1cccc(N(C)CCO)c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 12/20 0.63
MTNR1A P48039 11/20 0.63
ALDH1A1 P00352 1/20 0.51
HSD17B2 P37059 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B1 P14061 1/20 0.46
AOC3 Q16853 1/20 0.45

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
SCHEMBL12909886 0.86 MTNR1B (0.57) MTNR1BMTNR1AHSD17B2ALOX15HSD17B1
SCHEMBL24596906 0.84 MTNR1A (0.60) MTNR1BMTNR1AHSD17B2ALOX15HSD17B1
SCHEMBL28247084 0.84 MTNR1A (0.60) MTNR1BMTNR1AALOX15AOC3
SCHEMBL4932784 0.84 MTNR1B (0.56) MTNR1BMTNR1AALDH1A1HSD17B2ALOX15
SCHEMBL30641659 0.84 MTNR1B (0.56) MTNR1BMTNR1AALDH1A1HSD17B2ALOX15
SCHEMBL11438890 0.83 MTNR1A (0.58) MTNR1BMTNR1AHSD17B2ALOX15HSD17B1
SCHEMBL5536841 0.83 MTNR1A (0.58) MTNR1BMTNR1AHSD17B2ALOX15HSD17B1
SCHEMBL4511093 0.83 MTNR1A (0.58) MTNR1BMTNR1AHSD17B2ALOX15HSD17B1
SCHEMBL14352274 0.81 MTNR1A (0.62) MTNR1BMTNR1AALOX15AOC3
SCHEMBL14149524 0.81 MTNR1A (0.62) MTNR1BMTNR1AALOX15AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9293711-B2 Organic semiconductor formulations POLYERA CORPORATION (US) 2016-03-22 US claimed
US-20140042369-A1 Organic Semiconductor Formulations USINVEST LLC 2014-02-13 US claimed
US-10754064-B2 Second-order nonlinear optical compound and nonlinear optical element comprising the same NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY (JP) 2020-08-25 US disclosed
US-10754064-B2 Second-order nonlinear optical compound and nonlinear optical element comprising the same NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY (JP) 2020-08-25 US disclosed
US-20180224577-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY (JP) 2018-08-09 US disclosed
US-20180224577-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY (JP) 2018-08-09 US disclosed
US-20180224577-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY (JP) 2018-08-09 US disclosed
US-10043978-B2 Organic semiconductor formulations FLEXTERRA, INC. (US) 2018-08-07 US disclosed
US-9977150-B2 Second-order nonlinear optical compound and nonlinear optical element comprising the same NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY (JP) 2018-05-22 US disclosed
US-9977150-B2 Second-order nonlinear optical compound and nonlinear optical element comprising the same NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY (JP) 2018-05-22 US disclosed
US-9977150-B2 Second-order nonlinear optical compound and nonlinear optical element comprising the same NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY (JP) 2018-05-22 US disclosed
US-20120172599-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 2012-07-05 US disclosed
US-20120172599-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 2012-07-05 US disclosed
US-20120172599-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 2012-07-05 US disclosed
WO-2011024774-A1 SECOND-ORDER NON-LINEAR OPTICAL COMPOUND AND NON-LINEAR OPTICAL ELEMENT COMPRISING SAME 独立行政法人情報通信研究機構 (JP) 2011-03-03 WO disclosed
US-7569337-B2 Labeling brain tissues in vivo or in vitro; 3-Benzothiazol-2-yl-7-[4-(2-fluoro-ethyl)-piperazin-1-yl]-chromen-2-one; diagnosis, monitoring the effectiveness of a therapeutic treatment and detecting histopathological hallmarks of Alzheimer's disease NOVARTIS AG (CH) 2009-08-04 US disclosed
EP-1483262-B1 COUMARINES USEFUL AS BIOMARKERS NOVARTIS AG (CH) 2007-11-14 EP disclosed
US-20050169837-A1 Coumarines useful as biomarkers NOVARTIS AG (CH) 2005-08-04 US disclosed
EP-1483262-A1 COUMARINES USEFUL AS BIOMARKERS Novartis AG (CH) 2004-12-08 EP disclosed
WO-2003074519-A1 COUMARINES USEFUL AS BIOMARKERS NOVARTIS AG (CH) 2003-09-12 WO 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-20050169837-A1 Coumarines useful as biomarkers CCNB1, CBR1, CYP1A1 MTNR1B 1625/4885MTNR1A 1053/4885ALDH1A1 86/4885
US-10754064-B2 Second-order nonlinear optical compound and nonlinear optical element comprising the same OGFOD1, OCIAD2, OCIAD1 MTNR1B 2223/4885MTNR1A 2828/4885ALDH1A1 1660/4885
US-20180224577-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME OGFOD1, OCIAD2, OCIAD1 MTNR1B 2223/4885MTNR1A 2828/4885ALDH1A1 1660/4885
US-20120172599-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME OGFOD1, OCIAD2, OCIAD1 MTNR1B 2223/4885MTNR1A 2828/4885ALDH1A1 1660/4885

“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.