SCHEMBL2993985

SCHEMBL2993985

CCCOC(=O)c1cc2cc(OCCC)ccc2cc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
HSP90AA1 P07900 1/20 0.54
KMT2A Q03164 1/20 0.54
MAOB P27338 2/20 0.52
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALOX5 P09917 1/20 0.46
SLC16A3 O15427 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
HTT P42858 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
LMNA P02545 1/20 0.43
NMT1 P30419 1/20 0.42

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
SCHEMBL3002348 0.89 SLC16A3 (0.52) MEN1HSP90AA1KMT2AMAOBALDH1A1
SCHEMBL630698 0.85 MEN1 (0.57) MEN1HSP90AA1KMT2AMAOBALDH1A1
SCHEMBL2805603 0.82 ALDH1A1 (0.61) MEN1HSP90AA1KMT2AMAOBALDH1A1
SCHEMBL2996551 0.82 HDAC8 (0.52) MEN1HSP90AA1KMT2AMAOBALDH1A1
SCHEMBL29376294 0.82 HDAC8 (0.52) MEN1HSP90AA1KMT2AMAOBALDH1A1
SCHEMBL629817 0.81 MEN1 (0.46) MEN1HSP90AA1KMT2AMAOBALOX5
SCHEMBL11336367 0.81 L3MBTL1 (0.58) MEN1HSP90AA1KMT2AMAOBALDH1A1
SCHEMBL13278206 0.80 ALDH1A1 (0.55) MEN1HSP90AA1KMT2AMAOBALDH1A1
SCHEMBL3003345 0.79 ALDH1A1 (0.47) KMT2AMAOBALDH1A1L3MBTL1TSHR
SCHEMBL629641 0.79 SLC16A3 (0.62) MEN1HSP90AA1KMT2AMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197744-A1 Organic Compounds BARNES DAVID 2010-08-05 US disclosed
EP-2155704-A1 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008148744-A1 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2008-12-11 WO 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-20100197744-A1 Organic Compounds PTPRS, PTPRO, PTPRC MEN1 4409/4885HSP90AA1 2633/4885KMT2A 1409/4885

“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.