SCHEMBL18934019

SCHEMBL18934019

CNC(=O)C1(C)CCc2c(C)c(O)c(C)c(C)c2O1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.74
PTGS2 P35354 1/20 0.74
CYP1A2 P05177 1/20 0.74
CYP3A4 P08684 1/20 0.74
TSHR P16473 1/20 0.74
CAPN1 P07384 1/20 0.48
ACHE P22303 12/20 0.48
BCHE P06276 11/20 0.48
MAOB P27338 1/20 0.46
TTPA P49638 1/20 0.45
ALOX5 P09917 2/20 0.45
NR1I2 O75469 1/20 0.45

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
SCHEMBL15820288 0.88 PTGS1 (0.74) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL15820289 0.88 PTGS1 (0.74) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL15821003 0.88 PTGS1 (0.74) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL17289293 0.85 PTGS1 (0.65) PTGS1PTGS2CYP1A2CYP3A4TSHR
Trolox SCHEMBL1651402 0.85 PTGS1 (1.00) PTGS1PTGS2CYP1A2CYP3A4TSHR
Trolox SCHEMBL1927837 0.85 PTGS1 (1.00) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL8270579 0.85 PTGS1 (0.78) PTGS1PTGS2CYP1A2CYP3A4TSHR
(R)-Trolox SCHEMBL615168 0.85 PTGS1 (1.00) PTGS1PTGS2CYP1A2CYP3A4TSHR
Trolox SCHEMBL3226 0.85 PTGS1 (1.00) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL16247633 0.85 PTGS1 (0.78) PTGS1PTGS2CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230181441-A1 TROLOX-PEPTIDE CONJUGATE AND USE THEREOF CAREGEN CO., LTD. (KR) 2023-06-15 US disclosed
US-20230160001-A1 NUCLEOTIDE CLEAVABLE LINKERS WITH RIGID SPACERS AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-05-25 US disclosed
US-20200308220-A1 AROMATIC-CATIONIC PEPTIDES CONJUGATED TO ANTIOXIDANTS AND THEIR USE IN TREATING COMPLEX REGIONAL PAIN SYNDROME CLINICAL RESEARCH INSTITUTE OF MONTREAL (CA) 2020-10-01 US disclosed
WO-2017093897-A1 AROMATIC-CATIONIC PEPTIDES CONJUGATED TO ANTIOXIDANTS AND THEIR USE IN TREATING COMPLEX REGIONAL PAIN SYNDROME SCHILLER PETER (CA) 2017-06-08 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 (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-20200308220-A1 AROMATIC-CATIONIC PEPTIDES CONJUGATED TO ANTIOXIDANTS AND THEIR USE IN TREATING COMPLEX REGIONAL PAIN SYNDROME QDPR, TYR, MTPN PTGS1 2488/4885PTGS2 1677/4885CYP1A2 3422/4885
US-20230181441-A1 TROLOX-PEPTIDE CONJUGATE AND USE THEREOF PRDX3, TXNRD3, TXNRD2 PTGS1 754/4885PTGS2 1253/4885CYP1A2 998/4885

“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.