SCHEMBL18002191

SCHEMBL18002191

CC(C)C(O)CN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.46
POLB P06746 1/20 0.45
TSHR P16473 3/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRK1 P41145 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
CNR2 P34972 1/20 0.42
HPGD P15428 1/20 0.41
AOC3 Q16853 1/20 0.41
NPC1 O15118 1/20 0.39

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
SCHEMBL9597865 0.84 TSHR (0.59) TRPA1POLBTSHRRECQLALDH1A1
SCHEMBL893965 0.84 TSHR (0.59) TRPA1POLBTSHRRECQLALDH1A1
SCHEMBL1608155 0.84 TSHR (0.59) TRPA1POLBTSHRRECQLALDH1A1
SCHEMBL18002366 0.83 DNM1 (0.51) TRPA1TSHRALDH1A1MEN1KMT2A
SCHEMBL26239812 0.81 ALDH1A1 (0.47) TRPA1TSHRALDH1A1MEN1KMT2A
SCHEMBL18323943 0.81 DPP7 (0.43) TRPA1POLBTSHRALDH1A1MEN1
SCHEMBL3056624 0.81 POLB (0.45) POLBTSHRALDH1A1MEN1KMT2A
SCHEMBL5425398 0.80 TSHR (0.64) TRPA1POLBTSHRRECQLALDH1A1
SCHEMBL12786257 0.80 TSHR (0.64) TRPA1POLBTSHRRECQLALDH1A1
SCHEMBL6227253 0.79 POLB (0.54) POLBTSHRRECQLALDH1A1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3259246-B1 DERIVATIVES OF SOBETIROME UNIV OREGON HEALTH & SCIENCE (US) 2023-03-22 EP disclosed
US-20200181103-A1 DERIVATIVES OF SOBETIROME OREGON HEALTH & SCIENCE UNIVERSITY (US) 2020-06-11 US disclosed
US-10392356-B2 Derivatives of sobetirome OREGON HEALTH & SCIENCE UNIVERSITY (US) 2019-08-27 US disclosed
US-20180057472-A1 DERIVATIVES OF SOBETIROME OREGON HEALTH & SCIENCE UNIVERSITY (US) 2018-03-01 US disclosed
EP-3259246-A1 DERIVATIVES OF SOBETIROME Oregon Health & Science University (US) 2017-12-27 EP disclosed
US-9701650-B2 Derivatives of sobetirome OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-07-11 US disclosed
WO-2016134292-A1 DERIVATIVES OF SOBETIROME OREGON HEALTH & SCIENCE UNIVERSITY (US) 2016-08-25 WO disclosed
US-20160244418-A1 DERIVATIVES OF SOBETIROME OREGON HEALTH & SCIENCE UNIVERSITY (US) 2016-08-25 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 (4 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-20200181103-A1 DERIVATIVES OF SOBETIROME SLC18A2, SLC6A2, SLC6A4 TRPA1 4251/4885POLB 3063/4885TSHR 1896/4885
US-20180057472-A1 DERIVATIVES OF SOBETIROME SLC18A2, SLC6A2, SLC6A4 TRPA1 4251/4885POLB 3063/4885TSHR 1896/4885
US-20160244418-A1 DERIVATIVES OF SOBETIROME SLC18A2, SLC6A2, SLC6A4 TRPA1 4251/4885POLB 3063/4885TSHR 1896/4885
US-10392356-B2 Derivatives of sobetirome SLC18A2, SLC6A2, SLC6A4 TRPA1 4251/4885POLB 3063/4885TSHR 1896/4885

“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.