SCHEMBL14907303

SCHEMBL14907303

C=C(C)C(=O)OCCNC(=O)OCCOCCCCOC

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
TSHR P16473 2/20 0.43
ACHE P22303 14/20 0.41
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL14907263 0.93 THRB (0.46) THRBTSHRACHE
SCHEMBL15128212 0.93 THRB (0.51) THRBTSHRACHELMNASMN1; SMN2
SCHEMBL12191387 0.92 TSHR (0.53) THRBTSHRACHE
SCHEMBL31252941 0.91 THRB (0.53) THRBTSHRACHELMNASMN1; SMN2
SCHEMBL15128201 0.91 THRB (0.53) THRBTSHRACHELMNASMN1; SMN2
SCHEMBL2407776 0.90 THRB (0.58) THRBTSHRACHELMNASMN1; SMN2
SCHEMBL13872027 0.90 THRB (0.58) THRBTSHRACHELMNASMN1; SMN2
SCHEMBL22363756 0.89 TSHR (0.58) THRBTSHRACHE
SCHEMBL13309600 0.88 TSHR (0.56) THRBTSHRACHE
SCHEMBL13109161 0.88 TSHR (0.47) THRBTSHRACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710113-B2 Dental composition, kit of parts and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-04-29 US disclosed
US-20130109777-A1 DENTAL COMPOSITION, KIT OF PARTS AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-05-02 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-20130109777-A1 DENTAL COMPOSITION, KIT OF PARTS AND USE THEREOF KIT, KDM5C, PHAX THRB 851/4885TSHR 4041/4885ACHE 2860/4885

“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.