SCHEMBL23031387

SCHEMBL23031387

C=CCNC(=O)CCC(=O)OCCOC(=O)C(=C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 3/20 0.44
HTT P42858 2/20 0.44
FAAH O00519 1/20 0.43
THRB P10828 1/20 0.42
CNR1 P21554 4/20 0.37
CNR2 P34972 4/20 0.37
BLM P54132 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL16425945 0.84 THRB (0.47) TSHRMAPTHTTTHRBBLM
SCHEMBL10060088 0.83 THRB (0.50) TSHRMAPTHPGDHTTFAAH
SCHEMBL16425943 0.82 THRB (0.45) TSHRMAPTSMN1; SMN2HTTFAAH
SCHEMBL16744077 0.80 THRB (0.61) TSHRMAPTSMN1; SMN2HTTTHRB
SCHEMBL124287 0.80 THRB (0.61) TSHRMAPTSMN1; SMN2HTTTHRB
SCHEMBL23031291 0.80 THRB (0.49) TSHRMAPTSMN1; SMN2HPGDHTT
SCHEMBL19027430 0.78 THRB (0.45) TSHRMAPTSMN1; SMN2HTTTHRB
SCHEMBL12642765 0.77 THRB (0.53) TSHRMAPTHTTTHRBBLM
SCHEMBL10060665 0.77 THRB (0.46) TSHRMAPTSMN1; SMN2HTTFAAH
SCHEMBL23031234 0.77 KDM4E (0.39) TSHRMAPTSMN1; SMN2HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210052469-A1 POLYMERIZABLE DENTAL COMPOSITION BASED ON CONDENSED SILANES VOCO GMBH (DE) 2021-02-25 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-20210052469-A1 POLYMERIZABLE DENTAL COMPOSITION BASED ON CONDENSED SILANES NCAPH, RCC1, NCAPD2 TSHR 4596/4885MAPT 2608/4885SMN1; SMN2 3310/4885

“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.