SCHEMBL10010072

SCHEMBL10010072

COc1cc(N(C)CCOC(=O)C(C)(C)C)ccc1C=Cc1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
MAPK1 P28482 2/20 0.41
ALOX5 P09917 3/20 0.40
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
BRCA1 P38398 1/20 0.40
RECQL P46063 1/20 0.40
CASP7 P55210 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAD52 P43351 1/20 0.39
GAA P10253 2/20 0.38
CYP1A1 P04798 2/20 0.37

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
SCHEMBL10010070 1.00 MAPT (0.41) MAPTMAPK1ALOX5PTGS1PTGS2
SCHEMBL11940224 0.88 ALOX5 (0.37) MAPTMAPK1ALOX5PTGS1PTGS2
SCHEMBL10009059 0.87 BACE1 (0.40) MAPTMAPK1MEN1ALDH1A1KMT2A
SCHEMBL10009057 0.87 BACE1 (0.40) MAPTMAPK1MEN1ALDH1A1KMT2A
SCHEMBL10010126 0.82 CYBB (0.47) MAPTMAPK1ALOX5PTGS1PTGS2
SCHEMBL10010123 0.82 CYBB (0.47) MAPTMAPK1ALOX5PTGS1PTGS2
SCHEMBL11934267 0.82 CYP1A1 (0.38) MAPTMAPK1ALOX5PTGS1PTGS2
SCHEMBL10010064 0.81 ALDH1A1 (0.50) MAPTALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL10010074 0.78 POLB (0.44) MAPTMAPK1ALOX5PTGS1PTGS2
SCHEMBL12836979 0.73 MAPT (0.37) MAPTMAPK1ALOX5PTGS1PTGS2

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 8 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-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-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-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-20120172599-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 2012-07-05 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 (5 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-20160318889-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME OGFOD1, OCIAD2, OCIAD1 MAPT 2069/4885MAPK1 2121/4885ALOX5 235/4885
US-20150048284-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME OGFOD1, OCIAD2, OCIAD1 MAPT 2069/4885MAPK1 2121/4885ALOX5 235/4885
US-10754064-B2 Second-order nonlinear optical compound and nonlinear optical element comprising the same OGFOD1, OCIAD2, OCIAD1 MAPT 2069/4885MAPK1 2121/4885ALOX5 235/4885
US-20180224577-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME OGFOD1, OCIAD2, OCIAD1 MAPT 2069/4885MAPK1 2121/4885ALOX5 235/4885
US-20120172599-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME OGFOD1, OCIAD2, OCIAD1 MAPT 2069/4885MAPK1 2121/4885ALOX5 235/4885

“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.