SCHEMBL2124491

SCHEMBL2124491

NC1CCCC(NC(=O)OCc2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
EPHX1 P07099 1/20 0.61
ALDH1A1 P00352 2/20 0.60
GAA P10253 1/20 0.60
TLR4 O00206 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
DPP4 P27487 3/20 0.53
DPP7 Q9UHL4 3/20 0.53
KCNH2 Q12809 1/20 0.53
CPB1 P15086 2/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSK P43235 1/20 0.52
TRPM8 Q7Z2W7 2/20 0.49
KDM1A O60341 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49

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
SCHEMBL2124493 1.00 TSHR (0.61) TSHREPHX1ALDH1A1GAATLR4
SCHEMBL6371177 1.00 TSHR (0.61) TSHREPHX1ALDH1A1GAATLR4
SCHEMBL16070788 1.00 TSHR (0.61) TSHREPHX1ALDH1A1GAATLR4
SCHEMBL16523975 1.00 TSHR (0.61) TSHREPHX1ALDH1A1GAATLR4
Hydrochloric Acid SCHEMBL19024573 0.99 TSHR (0.60) TSHREPHX1ALDH1A1GAATLR4
SCHEMBL21198114 0.92 TSHR (0.67) TSHREPHX1ALDH1A1GAATLR4
SCHEMBL8324876 0.92 TSHR (0.67) TSHREPHX1ALDH1A1GAATLR4
SCHEMBL14981586 0.92 TSHR (0.67) TSHREPHX1ALDH1A1GAATLR4
Hydrochloric Acid SCHEMBL16430999 0.91 TSHR (0.66) TSHREPHX1ALDH1A1GAATLR4
SCHEMBL5442663 0.90 EPHX1 (0.68) TSHREPHX1ALDH1A1GAATLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573920-B Indoles for use in influenza virus infection 爱尔兰詹森科学公司 2020-11-10 CN disclosed
US-9029377-B2 Platelet-activating factor receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-05-12 US disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 US disclosed
EP-2442809-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2012-04-25 EP disclosed
WO-2010148197-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-23 WO disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 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 (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-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS PTAFR, PAFAH1B2, PAFAH1B3 TSHR 1383/4885EPHX1 359/4885ALDH1A1 3004/4885

“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.