SCHEMBL3220531

SCHEMBL3220531

CCN(CC)c1ccc(C=O)c(OC(C)C)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
BACE1 P56817 2/20 0.57
MAPT P10636 10/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
NPSR1 Q6W5P4 3/20 0.47
USP2 O75604 2/20 0.47
HTT P42858 2/20 0.47
GPR35 Q9HC97 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 4/20 0.47
HPGD P15428 3/20 0.47
ALDH1A3 P47895 2/20 0.46
ALDH3A1 P30838 1/20 0.46
KDM4E B2RXH2 6/20 0.45
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40

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
SCHEMBL11934198 0.86 ALDH1A1 (0.52) ALDH1A1L3MBTL1BACE1MAPTMEN1
SCHEMBL20169821 0.85 BACE1 (0.54) ALDH1A1L3MBTL1BACE1MAPTMEN1
SCHEMBL5556090 0.85 ALDH1A1 (0.62) ALDH1A1L3MBTL1BACE1MAPTMEN1
SCHEMBL5556291 0.84 ALDH1A1 (0.60) ALDH1A1L3MBTL1BACE1MAPTMEN1
SCHEMBL16978734 0.84 BACE1 (0.59) ALDH1A1L3MBTL1BACE1MAPTMEN1
SCHEMBL16967148 0.84 BACE1 (0.59) ALDH1A1L3MBTL1BACE1MAPTMEN1
SCHEMBL15567273 0.84 BACE1 (0.59) ALDH1A1L3MBTL1BACE1MAPTMEN1
SCHEMBL2950989 0.83 ALDH1A1 (1.00) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL11934207 0.82 BACE1 (0.53) ALDH1A1L3MBTL1BACE1MAPTMEN1
SCHEMBL24529718 0.82 ALDH1A1 (0.70) ALDH1A1L3MBTL1BACE1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-9488755-B2 Second-order nonlinear optical compound and nonlinear optical element comprising the same NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY (JP) 2016-11-08 US disclosed
US-9488755-B2 Second-order nonlinear optical compound and nonlinear optical element comprising the same NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY (JP) 2016-11-08 US disclosed
US-20160318889-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME NAT INST INF & COMM TECH (JP) 2016-11-03 US disclosed
US-20160318889-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME NAT INST INF & COMM TECH (JP) 2016-11-03 US disclosed
US-8962674-B2 Curcumin derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-02-24 US disclosed
US-20150048284-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME NAT INST INF & COMM TECH (JP) 2015-02-19 US disclosed
US-20150048284-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME NAT INST INF & COMM TECH (JP) 2015-02-19 US disclosed
US-8846955-B2 Second-order nonlinear optical compound and nonlinear optical element comprising the same NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY (JP) 2014-09-30 US disclosed
US-8846955-B2 Second-order nonlinear optical compound and nonlinear optical element comprising the same NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY (JP) 2014-09-30 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-20100048901-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-25 US disclosed
EP-2123637-A1 NOVEL CURCUMIN DERIVATIVE Tokyo Institute of Technology (JP) 2009-11-25 EP 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 (6 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-20100048901-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 ALDH1A1 253/4885L3MBTL1 2164/4885BACE1 1/4885
US-20160318889-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME OGFOD1, OCIAD2, OCIAD1 ALDH1A1 1660/4885L3MBTL1 854/4885BACE1 4124/4885
US-20150048284-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME OGFOD1, OCIAD2, OCIAD1 ALDH1A1 1660/4885L3MBTL1 854/4885BACE1 4124/4885
US-10754064-B2 Second-order nonlinear optical compound and nonlinear optical element comprising the same OGFOD1, OCIAD2, OCIAD1 ALDH1A1 1660/4885L3MBTL1 854/4885BACE1 4124/4885
US-20180224577-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME OGFOD1, OCIAD2, OCIAD1 ALDH1A1 1660/4885L3MBTL1 854/4885BACE1 4124/4885
US-20120172599-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME OGFOD1, OCIAD2, OCIAD1 ALDH1A1 1660/4885L3MBTL1 854/4885BACE1 4124/4885

“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.