SCHEMBL2033487

SCHEMBL2033487

C(=Cc1ccc(C=Cc2ccccc2)c(C=Cc2ccccc2)c1C=Cc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.54
TRPA1 O75762 2/20 0.54
MAOB P27338 3/20 0.50
CYP19A1 P11511 2/20 0.48
MAOA P21397 2/20 0.48
CHAT P28329 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP1B1 Q16678 1/20 0.46
RELA Q04206 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43

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
SCHEMBL2033485 1.00 NFE2L2 (0.54) NFE2L2TRPA1MAOBCYP19A1MAOA
SCHEMBL3363528 0.89 NFE2L2 (0.45) NFE2L2TRPA1MAOBCYP19A1MAOA
SCHEMBL478036 0.87 NFE2L2 (0.58) NFE2L2TRPA1MAOBCYP19A1MAOA
SCHEMBL478037 0.87 NFE2L2 (0.58) NFE2L2TRPA1MAOBCYP19A1MAOA
SCHEMBL29360472 0.87 TRPA1 (0.59) NFE2L2TRPA1MAOBCHAT
SCHEMBL41525 0.87 TRPA1 (0.59) NFE2L2TRPA1MAOBCHAT
SCHEMBL3690347 0.87 NFE2L2 (0.44) NFE2L2TRPA1MAOBCYP19A1MAOA
SCHEMBL2301397 0.87 NFE2L2 (0.44) NFE2L2TRPA1MAOBCYP19A1MAOA
SCHEMBL41526 0.87 TRPA1 (0.59) NFE2L2TRPA1MAOBCHAT
Ammonia Solution, Strong SCHEMBL7940805 0.85 TRPA1 (0.57) NFE2L2TRPA1MAOBCHAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696620-B2 Antimicrobial compounds BOULOS & COOPER PHARMACEUTICALS PTY LTD (AU) 2020-06-30 US disclosed
US-20180290963-A1 ANTIMICROBIAL COMPOUNDS BOULOS, RAMIZ (AU) 2018-10-11 US disclosed
US-9738591-B2 Antimicrobial compounds Boulos, Ramiz (AU) 2017-08-22 US disclosed
US-20170029359-A1 ANTIMICROBIAL COMPOUNDS THE UNIVERSITY OF WESTERN AUSTRALIA (AU) 2017-02-02 US disclosed
US-20150189873-A1 ANTIMICROBIAL COMPOUNDS BOULOS & COOPER PHARMACEUTICALS PTY LTD (AU) 2015-07-09 US disclosed
US-9023892-B2 Antimicrobial compounds Boulos, Ramiz (AU) 2015-05-05 US disclosed
US-20120329871-A1 ANTIMICROBIAL COMPOUNDS THE UNIVERSITY OF WESTERN AUSTRALIA (AU) 2012-12-27 US disclosed
WO-2011075766-A1 ANTIMICROBIAL COMPOUNDS THE UNIVERSITY OF WESTERN AUSTRALIA (AU) 2011-06-30 WO disclosed
CN-1268714-C Organic electroluminescent material and electroluminescent device RITDISPLAY CORP (CN) 2006-08-09 CN disclosed
CN-1254459-C Organic electroluminescent material and electroluminescent device RITDISPLAY CORP (CN) 2006-05-03 CN disclosed
US-7029764-B2 Organic electroluminescent material and electroluminescent device by using the same RITDISPLAY CORPORATION (TW) 2006-04-18 US disclosed
US-7026061-B2 Organic electroluminescent material and organic electroluminescent element by using the same RITDISPLAY CORPORATION (TW) 2006-04-11 US disclosed
US-20040183432-A1 Organic electroluminescent material and organic electroluminescent element by using the same RIT DISPLAY CORPORATION (TW) 2004-09-23 US disclosed
US-20040146742-A1 Organic electroluminescent material and electroluminescent device by using the same RITDISPLAY CORPORATION (TW) 2004-07-29 US disclosed
CN-1504531-A Organic electroluminescent material and electroluminescent device 铼宝科技股份有限公司 2004-06-16 CN disclosed
CN-1504532-A Organic electroluminescent material and electroluminescent device 铼宝科技股份有限公司 2004-06-16 CN 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-20180290963-A1 ANTIMICROBIAL COMPOUNDS MRPL21, SPOUT1, MPO NFE2L2 856/4885TRPA1 2242/4885MAOB 1409/4885
US-10696620-B2 Antimicrobial compounds MRPL21, SPOUT1, MPO NFE2L2 856/4885TRPA1 2242/4885MAOB 1409/4885
US-20120329871-A1 ANTIMICROBIAL COMPOUNDS DPM1, NACA, CLPP NFE2L2 1047/4885TRPA1 892/4885MAOB 2022/4885
US-20170029359-A1 ANTIMICROBIAL COMPOUNDS MRPL21, SPOUT1, MPO NFE2L2 856/4885TRPA1 2242/4885MAOB 1409/4885
US-20150189873-A1 ANTIMICROBIAL COMPOUNDS DPM1, NACA, CLPP NFE2L2 1047/4885TRPA1 892/4885MAOB 2022/4885

“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.