SCHEMBL10012977

SCHEMBL10012977

CN(CCO[Si](C)(C)C(C)(C)C)c1ccc(C=Cc2cccs2)c(OCc2ccccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 1/20 0.37
BACE1 P56817 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
STAT3 P40763 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FLT3 P36888 7/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32
C5AR1 P21730 1/20 0.32
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
PTGER1 P34995 1/20 0.30
PTGER4 P35408 1/20 0.30
PTGER3 P43115 1/20 0.30
PTGER2 P43116 1/20 0.30
KCNH2 Q12809 1/20 0.30
MCHR1 Q99705 1/20 0.30

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
SCHEMBL11934269 1.00 NTSR1 (0.37) NTSR1BACE1HDAC8STAT3HTT
SCHEMBL20954490 0.90 BACE1 (0.35) BACE1HDAC8STAT3HTTSMN1; SMN2
SCHEMBL20954489 0.90 BACE1 (0.35) BACE1HDAC8STAT3HTTSMN1; SMN2
SCHEMBL11934267 0.87 CYP1A1 (0.38) NTSR1FLT3CYP1A1CYP1A2CYP1B1
SCHEMBL10012456 0.86 BACE1 (0.36) NTSR1BACE1HDAC8STAT3HTT
SCHEMBL10012453 0.86 BACE1 (0.36) NTSR1BACE1HDAC8STAT3HTT
SCHEMBL10009057 0.83 BACE1 (0.40) BACE1HDAC8SMN1; SMN2TRPM8CYP1A2
SCHEMBL10009059 0.83 BACE1 (0.40) BACE1HDAC8SMN1; SMN2TRPM8CYP1A2
SCHEMBL10012450 0.83 BACE1 (0.41) NTSR1BACE1HDAC8STAT3HTT
SCHEMBL10012449 0.83 BACE1 (0.41) NTSR1BACE1HDAC8STAT3HTT

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 NTSR1 3259/4885BACE1 4124/4885HDAC8 3208/4885
US-20150048284-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME OGFOD1, OCIAD2, OCIAD1 NTSR1 3259/4885BACE1 4124/4885HDAC8 3208/4885
US-10754064-B2 Second-order nonlinear optical compound and nonlinear optical element comprising the same OGFOD1, OCIAD2, OCIAD1 NTSR1 3259/4885BACE1 4124/4885HDAC8 3208/4885
US-20180224577-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME OGFOD1, OCIAD2, OCIAD1 NTSR1 3259/4885BACE1 4124/4885HDAC8 3208/4885
US-20120172599-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME OGFOD1, OCIAD2, OCIAD1 NTSR1 3259/4885BACE1 4124/4885HDAC8 3208/4885

“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.