SCHEMBL5582897

SCHEMBL5582897

Brc1nccc2ccoc12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
ASIC3 Q9UHC3 1/20 0.40
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
DYRK1A Q13627 1/20 0.31
CYP2A6 P11509 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
SCHEMBL30812428 1.00 TRPA1 (0.42) TRPA1ASIC3MAOAMAOBHTR2A
SCHEMBL658129 0.74 ASIC3 (0.41) TRPA1ASIC3MAOAMAOBHTR2A
SCHEMBL30491673 0.73 NOS3 (0.43) TRPA1ASIC3MAOAMAOBHTR2A
SCHEMBL8024180 0.73 CYP2A6 (0.48) TRPA1ASIC3MAOAMAOBHTR2A
SCHEMBL658524 0.73 NOS3 (0.43) TRPA1ASIC3MAOAMAOBHTR2A
SCHEMBL20719886 0.73 ASIC3 (0.40) TRPA1ASIC3MAOAMAOBHTR2A
SCHEMBL14733335 0.71 TRPA1 (0.32) TRPA1MAOACYP2A6
SCHEMBL4419988 0.68 MAOA (0.46) ASIC3MAOAMAOBHTR2AHTR2C
SCHEMBL29591293 0.68 MAOA (0.46) ASIC3MAOAMAOBHTR2AHTR2C
SCHEMBL24210657 0.68 ASIC3 (0.37) TRPA1ASIC3MAOAMAOBCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240114768-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-04-04 US disclosed
CN-117641964-A Light emitting device, electronic apparatus, and electronic device 三星显示有限公司 2024-03-01 CN disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
US-20040235867-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2004-11-25 US disclosed
WO-2003009852-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-02-06 WO 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 (3 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-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 TRPA1 798/4885ASIC3 366/4885MAOA 3224/4885
US-20240114768-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE LAGE3, GPX1, CRY1 TRPA1 708/4885ASIC3 1815/4885MAOA 3258/4885
US-20040235867-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 TRPA1 3838/4885ASIC3 3548/4885MAOA 2142/4885

“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.