SCHEMBL5574063

SCHEMBL5574063

Ic1ccccc1/C=C/c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.63
NFE2L2 Q16236 5/20 0.56
TRPA1 O75762 2/20 0.56
SIGMAR1 Q99720 1/20 0.47
MAOB P27338 2/20 0.46
CYP19A1 P11511 1/20 0.44
MAOA P21397 1/20 0.44
DPYD Q12882 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
CHAT P28329 1/20 0.41

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
SCHEMBL30533683 1.00 APP (0.63) APPNFE2L2TRPA1SIGMAR1MAOB
SCHEMBL5574066 1.00 APP (0.63) APPNFE2L2TRPA1SIGMAR1MAOB
SCHEMBL10454309 0.87 APP (0.57) APPNFE2L2TRPA1SIGMAR1MEN1
SCHEMBL700193 0.86 APP (0.65) APPNFE2L2TRPA1SIGMAR1MAOB
SCHEMBL700192 0.86 APP (0.65) APPNFE2L2TRPA1SIGMAR1MAOB
SCHEMBL10454313 0.85 NFE2L2 (0.50) APPNFE2L2TRPA1SIGMAR1MAOB
SCHEMBL28410501 0.85 NFE2L2 (0.50) APPNFE2L2TRPA1SIGMAR1MAOB
SCHEMBL29049176 0.83 NFE2L2 (0.66) APPNFE2L2MAOBMAOACASP3
SCHEMBL29049169 0.83 APP (0.61) APPNFE2L2TRPA1SIGMAR1KMT2A
SCHEMBL44503 0.82 NFE2L2 (0.68) NFE2L2TRPA1MAOBCYP19A1MAOA

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-20230234900-A1 METHODS OF ARENE ALKENYLATION UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2023-07-27 US disclosed
US-20230234900-A1 METHODS OF ARENE ALKENYLATION UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2023-07-27 US disclosed
US-9944826-B2 Dynamic polymer material for 3D printing INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-04-17 US disclosed
US-20170204292-A1 DYNAMIC POLYMER MATERIAL FOR 3D PRINTING INTERNATIONAL BUSINESS MACHINES CORPORATION 2017-07-20 US disclosed
EP-1802560-A2 HALOCOMBSTATINS AND METHODS OF SYNTHESIS THEREOF Arizona Board Regents, a body corporate of the State of Arizona, acting for and on behalf of Arizona State University (US) 2007-07-04 EP disclosed
WO-2006036743-A2 HALOCOMBSTATINS AND METHODS OF SYNTHESIS THEREOF ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2006-04-06 WO disclosed
CN-1006386-B PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER SHINETSU CHEM IND CO (JP) 1990-01-10 CN disclosed
CN-85107531-A Process for producing vinyl chloride polymer 1987-01-21 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 (1 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-20230234900-A1 METHODS OF ARENE ALKENYLATION CYBB, CBR3, AHR APP 3729/4885NFE2L2 102/4885TRPA1 1407/4885

“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.