SCHEMBL5866028

SCHEMBL5866028

O=C(O)Cc1ccsc1-c1sccc1-c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 7/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 6/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
CACNA1B Q00975 3/20 0.40
APBA1 Q02410 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 3/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 2/20 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
SCHEMBL5053028 0.87 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1TP53ALOX15
SCHEMBL10550712 0.81 DPP4 (0.41) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL4048685 0.78 LTA4H (0.54) ALDH1A1KMT2AMEN1KDM4EPPARG
SCHEMBL361451 0.76 KDM4E (0.44) ALDH1A1KMT2AMEN1ALOX15KDM4E
SCHEMBL9450326 0.76 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1TP53MAPK1
Acetic Acid SCHEMBL367778 0.76 KDM4E (0.45) ALDH1A1KMT2AMEN1TP53MAPK1
SCHEMBL14646178 0.75 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1TP53ALOX15
SCHEMBL5057664 0.75 KMT2A (0.46) ALDH1A1KMT2AMEN1TP53ALOX15
SCHEMBL1520751 0.74 KMT2A (0.71) ALDH1A1KMT2AMEN1TP53ALOX15
SCHEMBL14645313 0.74 KMT2A (0.45) ALDH1A1KMT2AMEN1TP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034187-B2 Poly(aralkyl ketone)s and methods of preparing the same AGENCY FOR SCIENCE, TECHNOLOGY, AND RESEARCH (SG) 2006-04-25 US claimed
US-20050272905-A1 NOVEL POLY(ARALKYL KETONE)S AND METHODS OF PREPARING THE SAME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2005-12-08 US claimed
US-7034187-B2 Poly(aralkyl ketone)s and methods of preparing the same AGENCY FOR SCIENCE, TECHNOLOGY, AND RESEARCH (SG) 2006-04-25 US disclosed
US-20050272905-A1 NOVEL POLY(ARALKYL KETONE)S AND METHODS OF PREPARING THE SAME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2005-12-08 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-20050272905-A1 NOVEL POLY(ARALKYL KETONE)S AND METHODS OF PREPARING THE SAME ADSL, KHK, PKLR ALDH1A1 1700/4885KMT2A 1046/4885MEN1 2585/4885

“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.