SCHEMBL4556801

SCHEMBL4556801

CCCCOc1ccc(C(=O)COc2cc(OCCCC)ccc2CO)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
MMP1 P03956 1/20 0.48
PLA2G4B P0C869 6/20 0.48
TP53 P04637 1/20 0.47
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
PLA2G4A P47712 1/20 0.45

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
SCHEMBL4557062 0.83 THRA (0.50) TSHRL3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL4556784 0.81 MEN1 (0.46) TSHRMEN1ALDH1A1KMT2APLA2G4B
SCHEMBL15177171 0.81 TSHR (0.46) TSHRL3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL2687877 0.80 SMN1; SMN2 (0.55) TSHRL3MBTL1ALDH1A1PLA2G4B
SCHEMBL135802 0.79 NR5A1 (0.53) TSHRMEN1ALDH1A1KMT2APLA2G4B
SCHEMBL15522362 0.79 NR5A1 (0.53) TSHRMEN1ALDH1A1KMT2APLA2G4B
SCHEMBL30775079 0.79 NR5A1 (0.53) TSHRMEN1ALDH1A1KMT2APLA2G4B
SCHEMBL3682775 0.79 NR5A1 (0.53) TSHRMEN1ALDH1A1KMT2APLA2G4B
SCHEMBL4556789 0.78 L3MBTL1 (0.46) TSHRL3MBTL1ALDH1A1MMP1PLA2G4B
SCHEMBL4549079 0.76 L3MBTL1 (0.56) L3MBTL1MEN1ALDH1A1KMT2A

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-8507549-B2 Methods for synthesizing glycinols, glyceollins I and II and isoflavenes and chromanes using a Wittig reaction, and compositions made therewith THE UNIVERSITY OF TOLEDO (US) 2013-08-13 US disclosed
US-20120115942-A1 Methods for Synthesizing Glycinols, Glyceollins I and II and Isoflavenes and Chromanes Using A Wittig Reaction, and Compositions Made Therewith THE UNIVERSITY OF TOLEDO 2012-05-10 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-20120115942-A1 Methods for Synthesizing Glycinols, Glyceollins I and II and Isoflavenes and Chromanes Using A Wittig Reaction, and Compositions Made Therewith UGGT1, GCG, UGT8 TSHR 3601/4885L3MBTL1 4827/4885MEN1 377/4885

“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.