SCHEMBL369391

SCHEMBL369391

COC(C)(C)CCOC(C)(C)CCOS(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
USP2 O75604 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MMP9 P14780 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL6497418 0.94 TSHR (0.48) TSHRUSP2ALDH1A1KDM4ELMNA
SCHEMBL10054624 0.84 USP2 (0.43) TSHRUSP2ALDH1A1KDM4ELMNA
SCHEMBL24708172 0.82 ALDH1A1 (0.30) TSHRALDH1A1TDP1
SCHEMBL25896439 0.82 KDM4E (0.41) TSHRUSP2ALDH1A1KDM4ELMNA
SCHEMBL19069731 0.82 TSHR (0.56) TSHRUSP2ALDH1A1KDM4ELMNA
SCHEMBL21164831 0.79 USP2 (0.46) TSHRUSP2ALDH1A1KDM4ELMNA
SCHEMBL10082514 0.79 TSHR (0.33) TSHRUSP2ALDH1A1TDP1
SCHEMBL2485099 0.79 USP2 (0.50) TSHRUSP2ALDH1A1KDM4ELMNA
SCHEMBL22808901 0.78 TSHR (0.46) TSHRUSP2ALDH1A1KDM4ELMNA
SCHEMBL13467249 0.76 ALDH1A1 (0.38) TSHRALDH1A1TDP1

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
US-11858884-B2 Compositions and methods for modulating gene or gene product in cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-01-02 US disclosed
WO-2022266498-A1 HISTIDINE-SELECTIVE POLYMER REAGENTS NEKTAR THERAPEUTICS (US) 2022-12-22 WO disclosed
US-9023986-B2 Glucose-dependent insulinotropic peptide analogs HOFFMANN-LA ROCHE INC. (US) 2015-05-05 US disclosed
US-20120302761-A1 INTERMEDIATES USEFUL IN THE PREPARATION OF MALEIMIDE FUNCTIONALIZED POLYMERS NEKTAR THERAPEUTICS (US) 2012-11-29 US disclosed
US-20120094955-A1 METHOD OF DISSOLVING AN OXIDIZED POLYSACCHARIDE IN AN AQUEOUS SOLUTION ACTAMAX SURGICAL MATERIALS LLC (US) 2012-04-19 US disclosed
EP-1962959-B1 NEUROPEPTIDE-2 RECEPTOR-AGONISTS HOFFMANN LA ROCHE (CH) 2012-03-14 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-20120094955-A1 METHOD OF DISSOLVING AN OXIDIZED POLYSACCHARIDE IN AN AQUEOUS SOLUTION SI, OGFOD1, OSTC TSHR 3622/4885USP2 1278/4885ALDH1A1 777/4885
US-20120302761-A1 INTERMEDIATES USEFUL IN THE PREPARATION OF MALEIMIDE FUNCTIONALIZED POLYMERS DERA, MMAB, PAICS TSHR 4371/4885USP2 2406/4885ALDH1A1 74/4885
US-11858884-B2 Compositions and methods for modulating gene or gene product in cells DGKB, DGKG, DGKA TSHR 4629/4885USP2 2976/4885ALDH1A1 2930/4885

“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.