SCHEMBL10010067

SCHEMBL10010067

COc1cc(CNCCOC(=O)C(C)(C)C)ccc1C=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL10008803 0.85 SLC2A1 (0.47) KDM4EALDH1A1CYP2D6CYP2C19SMN1; SMN2
SCHEMBL10010074 0.83 POLB (0.44) KDM4EPOLBALDH1A1CYP2D6CYP2C19
SCHEMBL10011283 0.77 MEN1 (0.57) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL10010064 0.74 ALDH1A1 (0.50) KDM4EPOLBALDH1A1TDP1
SCHEMBL27877027 0.74 CHRM2 (0.55) POLBCYP2D6SMN1; SMN2CYP3A4TDP1
SCHEMBL31260444 0.71 ALDH1A1 (0.51) KDM4EALDH1A1CYP2C19CYP3A4HTT
SCHEMBL7714458 0.71 BCHE (0.61) KDM4EPOLBALDH1A1CYP2D6CYP2C19
SCHEMBL14447279 0.70 ALDH1A1 (0.58) KDM4EPOLBALDH1A1SMN1; SMN2TDP1
SCHEMBL29956536 0.69 ALDH1A1 (0.64) KDM4EPOLBALDH1A1TDP1
SCHEMBL9714792 0.68 ALDH1A1 (0.59) KDM4EPOLBALDH1A1SMN1; SMN2TDP1

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 KDM4E 2838/4885POLB 2282/4885HDAC3 1943/4885
US-20150048284-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME OGFOD1, OCIAD2, OCIAD1 KDM4E 2838/4885POLB 2282/4885HDAC3 1943/4885
US-10754064-B2 Second-order nonlinear optical compound and nonlinear optical element comprising the same OGFOD1, OCIAD2, OCIAD1 KDM4E 2838/4885POLB 2282/4885HDAC3 1943/4885
US-20180224577-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME OGFOD1, OCIAD2, OCIAD1 KDM4E 2838/4885POLB 2282/4885HDAC3 1943/4885
US-20120172599-A1 SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME OGFOD1, OCIAD2, OCIAD1 KDM4E 2838/4885POLB 2282/4885HDAC3 1943/4885

“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.