SCHEMBL24716193

SCHEMBL24716193

CC(N(Cc1ccccc1)C(C)(C)C(C)C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SLC6A2 P23975 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ TRPA1 O75762 2/20 0.40
▸ AOC3 Q16853 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MGLL Q99685 1/20 0.36
▸ RIPK1 Q13546 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL20682942 0.77 TSHR (0.46) TSHRALDH1A1SLC6A2SLC6A4ADRA2B
SCHEMBL91231 0.75 ADRA2B (0.52) TSHRALDH1A1SLC6A2SLC6A4ADRA2B
SCHEMBL18135496 0.68 SLC6A2 (0.44) TSHRALDH1A1SLC6A2SLC6A4ADRA2B
SCHEMBL15421785 0.67 SIGMAR1 (0.44) TSHRALDH1A1SLC6A2SLC6A4ADRA2B
SCHEMBL15421788 0.67 SIGMAR1 (0.44) TSHRALDH1A1SLC6A2SLC6A4ADRA2B
SCHEMBL18079513 0.65 TSHR (0.50) TSHRALDH1A1SLC6A2SLC6A4ADRA2B
SCHEMBL8864186 0.64 TSHR (0.45) TSHRALDH1A1SLC6A2SLC6A4ADRA2B
SCHEMBL5462061 0.64 TSHR (0.62) TSHRALDH1A1SLC6A2SLC6A4ADRA2B
SCHEMBL3635237 0.63 TSHR (0.54) TSHRALDH1A1SLC6A2SLC6A4ADRA2B
SCHEMBL608453 0.63 TSHR (0.54) TSHRALDH1A1SLC6A2SLC6A4ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220251018-A1 PRODUCTION SYSTEM/PRODUCTION PROCESS FOR ACRYLIC ACID AND PRECURSORS THEREOF NOVOMER, INC. 2022-08-11 — — 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 (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-20220251018-A1 PRODUCTION SYSTEM/PRODUCTION PROCESS FOR ACRYLIC ACID AND PRECURSORS THEREOF COASY, ALAD, PCCA TSHR 4246/4885ALDH1A1 664/4885SLC6A2 4704/4885

“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.

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