SCHEMBL14907263

SCHEMBL14907263

C=C(C)C(=O)OCCCNC(=O)OCCOCCCCOC

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
ACHE P22303 14/20 0.45
TSHR P16473 3/20 0.45
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL14907303 0.93 THRB (0.47) THRBACHETSHR
SCHEMBL12191387 0.87 TSHR (0.53) THRBACHETSHR
SCHEMBL13309600 0.87 TSHR (0.56) THRBACHETSHR
SCHEMBL31252941 0.87 THRB (0.53) THRBACHETSHRALDH1A1
SCHEMBL15128201 0.87 THRB (0.53) THRBACHETSHRALDH1A1
SCHEMBL26935584 0.87 ACHE (0.56) THRBACHETSHR
SCHEMBL15128212 0.86 THRB (0.51) THRBACHETSHRALDH1A1
SCHEMBL12590085 0.86 THRB (0.51) THRBACHETSHR
SCHEMBL13109227 0.86 THRB (0.51) THRBACHETSHR
SCHEMBL2696366 0.85 THRB (0.61) THRBTSHRALDH1A1

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 851/4885ACHE 2860/4885TSHR 4041/4885

“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.