SCHEMBL4143391

SCHEMBL4143391

CC(C(=O)O)N1CCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
GFER P55789 1/20 0.55
NOTUM Q6P988 1/20 0.51
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
POLB P06746 3/20 0.50
KDM4E B2RXH2 2/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 1/20 0.49
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48

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
SCHEMBL4553227 0.90 NOTUM (0.54) GAAGFERNOTUMALDH1A1MAPT
SCHEMBL27675111 0.88 GAA (0.56) GAAGFERNOTUMALDH1A1MAPT
SCHEMBL13802543 0.85 GAA (0.57) GAAGFERNOTUMALDH1A1MAPT
SCHEMBL3372688 0.80 SLC6A2 (0.46) GAAGFERNOTUMALDH1A1MAPT
SCHEMBL11621424 0.80 SLC6A2 (0.48) GAAGFERNOTUMALDH1A1MAPT
SCHEMBL8412252 0.80 ALOX15 (0.51) GAAALDH1A1MAPTPOLBKDM4E
SCHEMBL31447067 0.80 ALOX15 (0.51) GAAALDH1A1MAPTPOLBKDM4E
SCHEMBL6262183 0.79 SLC6A2 (0.52) GAAGFERNOTUMALDH1A1MAPT
SCHEMBL27643466 0.79 NOTUM (0.55) GAAGFERNOTUMALDH1A1MAPT
SCHEMBL1102007 0.78 ALDH1A1 (0.48) GAAGFERNOTUMALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478559-B Solid-state light-stimulated fluorescence rapid color-changing material, and preparation method and application thereof 吉林大学 2023-05-12 CN claimed
CN-114478559-A Solid-state light-stimulated fluorescence rapid color-changing material and preparation method and application thereof 吉林大学 2022-05-13 CN claimed
CN-117050089-A Development method of pure solid novel aromatic heterocyclic spiropyran intelligent color-changing material 洛阳船舶材料研究所(中国船舶集团有限公司第七二五研究所) 2023-11-14 CN disclosed
CN-114478559-B Solid-state light-stimulated fluorescence rapid color-changing material, and preparation method and application thereof 吉林大学 2023-05-12 CN disclosed
CN-114478559-A Solid-state light-stimulated fluorescence rapid color-changing material and preparation method and application thereof 吉林大学 2022-05-13 CN disclosed
CN-105670389-B A kind of reversible solid state photochromic fluorescent ink material and its application 吉林大学 2019-02-05 CN disclosed
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-12-08 US disclosed
CN-101679370-A Novel vanilloid receptor ligands and the use thereof for the production of pharmaceuticals GRUENENTHAL GMBH 2010-03-24 CN disclosed
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 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 (2 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-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions TRPV1, OPRL1, TRPV2 GAA 1817/4885GFER 2055/4885NOTUM 2673/4885
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions TRPV1, OPRL1, TRPV2 GAA 1794/4885GFER 2038/4885NOTUM 2452/4885

“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.