SCHEMBL4558308

SCHEMBL4558308

C=C(Cc1ccccc1C(=O)O)C(=O)c1ccc(N(CC)CC)cc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 5/20 0.49
GAA P10253 3/20 0.49
POLB P06746 1/20 0.49
RECQL P46063 1/20 0.43
MAPT P10636 6/20 0.40
HPGD P15428 3/20 0.40
EGFR P00533 1/20 0.40
LCK P06239 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BCL2L1 Q07817 2/20 0.39
MCL1 Q07820 2/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
SLC16A3 O15427 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL503775 0.78 MEN1 (0.75) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL537275 0.78 MEN1 (0.64) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL39206 0.77 KMT2A (1.00) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL4938394 0.76 MEN1 (0.55) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL537276 0.76 MEN1 (0.68) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6635671 0.76 MEN1 (0.64) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL27913467 0.74 MEN1 (0.89) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11369420 0.74 MEN1 (0.78) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL22938967 0.73 MEN1 (0.81) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL17073981 0.73 MEN1 (0.57) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1

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-7597881-B2 Use of ester quats in compositions as sand-repellent substances GOLDSCHMIDT GMBH (DE) 2009-10-06 US disclosed
US-20070231289-A1 Use of ester quats in compositions as sand-repellent substances GOLDSCHMIDT GMBH (DE) 2007-10-04 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-20070231289-A1 Use of ester quats in compositions as sand-repellent substances CUTA, DLAT, CRAT MEN1 3823/4885KMT2A 284/4885SMN1; SMN2 4340/4885

“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.