SCHEMBL2310906

SCHEMBL2310906

CC(CO)C(C)(C)OC(C)(C)C(C)CO

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 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
SCHEMBL8027280 0.82 TSHR (0.37) TSHRTDP1MAPK1
SCHEMBL872202 0.73 TSHR (0.33) TSHRTDP1
SCHEMBL1104685 0.71
SCHEMBL2326056 0.71
SCHEMBL28917891 0.71
SCHEMBL7882792 0.71
SCHEMBL19865074 0.71 LMNA (0.32) TSHRTDP1
SCHEMBL20878365 0.71 MAPK1 (0.33) MAPK1
SCHEMBL17117517 0.71
SCHEMBL15671757 0.71 TDP1 (0.35) TSHRTDP1MAPK1

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-11073522-B2 Structural validation of very long chain dicarboxylic acids Lincoln Memorial University (US) 2021-07-27 US disclosed
CN-112204697-A Structure verification of very long chain dicarboxylic acids 林肯纪念大学 2021-01-08 CN disclosed
US-20190339277-A1 Structural Validation of Very Long Chain Dicarboxylic Acids Lincoln Memorial University 2019-11-07 US disclosed
US-8518988-B2 Polymorph of the hydrochloride of the (4-hydroxycarbamoyl-phenyl)-carbamic acid (6-dimethylamino methyl-2-naphthalenyl) ester CHEMI SPA (IT) 2013-08-27 US disclosed
US-20120302633-A1 NOVEL POLYMORPH OF THE HYDROCHLORIDE OF THE (4-HYDROXYCARBAMOYL-PHENYL)-CARBAMIC ACID (6-DIMETHYLAMINO METHYL-2-NAPHTHALENYL) ESTER CHEMI SPA (IT) 2012-11-29 US disclosed
WO-2011092556-A1 NOVEL POLYMORPH OF THE HYDROCHLORIDE OF THE (4-HYDROXYCARBAMOYL-PHENYL)-CARBAMIC ACID (6-DIMETHYLAMINO METHYL-2-NAPHTALENYL) ESTER CHEMI SPA (IT) 2011-08-04 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 (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-20120302633-A1 NOVEL POLYMORPH OF THE HYDROCHLORIDE OF THE (4-HYDROXYCARBAMOYL-PHENYL)-CARBAMIC ACID (6-DIMETHYLAMINO METHYL-2-NAPHTHALENYL) ESTER H1-4, CRYAA, NPM1 TSHR 3308/4885TDP1 357/4885MAPK1 2119/4885

“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.