SCHEMBL9035382

SCHEMBL9035382

CSc1ccccc1OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.44
ALDH1A1 P00352 2/20 0.42
ACHE P22303 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
POLB P06746 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
TLR8 Q9NR97 1/20 0.37
MCHR1 Q99705 1/20 0.37
TSHR P16473 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL9193406 0.84 IRAK4 (0.46) IRAK4ALDH1A1ACHEPOLBADRA2A
SCHEMBL21415470 0.81 IRAK4 (0.43) IRAK4ALDH1A1ACHEPOLBADRA2A
SCHEMBL29591819 0.78 ALDH1A1 (0.57) IRAK4ALDH1A1ACHEPOLBADRA2A
SCHEMBL2069775 0.78 ALDH1A1 (0.57) IRAK4ALDH1A1ACHEPOLBADRA2A
SCHEMBL7050103 0.78 IRAK4 (0.41) IRAK4ALDH1A1ACHEPOLBADRA2A
SCHEMBL2774997 0.77 SLC6A2 (0.49) ALDH1A1SLC6A2SLC6A4POLBTSHR
SCHEMBL9423815 0.75 POLB (0.44) ALDH1A1SLC6A2SLC6A4POLBTSHR
SCHEMBL10460395 0.75 SMN1; SMN2 (0.38) ALDH1A1SLC6A2SLC6A4POLBTSHR
SCHEMBL12750162 0.75 PTGS2 (0.57) IRAK4ALDH1A1ACHE
SCHEMBL14403060 0.75 IRAK4 (0.39) IRAK4ALDH1A1ACHEPOLBADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0365328-B1 Pyridine derivatives ZENECA LTD (GB) 1996-04-03 EP claimed
US-5053415-A Antiischemic, antiinflammatory, antiarthritic agents, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 US claimed
EP-0365328-A2 Pyridine derivatives ZENECA LIMITED (GB) 1990-04-25 EP claimed
EP-3590929-B1 SPIRO COMPOUND AND USE THEREOF MEDSHINE DISCOVERY INC (CN) 2021-09-15 EP disclosed
US-10738030-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-08-11 US disclosed
US-10604507-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-03-31 US disclosed
US-20190055220-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2019-02-21 US disclosed
EP-0365328-B1 Pyridine derivatives ZENECA LTD (GB) 1996-04-03 EP disclosed
US-5053415-A Antiischemic, antiinflammatory, antiarthritic agents, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 US disclosed
EP-0365328-A2 Pyridine derivatives ZENECA LIMITED (GB) 1990-04-25 EP 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-10604507-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R IRAK4 3147/4885ALDH1A1 2977/4885ACHE 2788/4885
US-10738030-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SCNN1G IRAK4 1062/4885ALDH1A1 2979/4885ACHE 4808/4885
US-20190055220-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SCNN1G IRAK4 1062/4885ALDH1A1 2979/4885ACHE 4808/4885

“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.