SCHEMBL23964465

SCHEMBL23964465

O=C(CCCOCC(O)CSCc1cccnc1)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TLR2 O60603 1/20 0.38
CHRNA7 P36544 1/20 0.38
TBXAS1 P24557 6/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CDC25B P30305 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL19996574 0.90 PPARA (0.42) LMNATDP1ADRB2ADRB1ADRB3
SCHEMBL23964627 0.86 LMNA (0.46) KMT2ALMNATDP1CHRNA7TBXAS1
SCHEMBL19996567 0.84 ALDH1A1 (0.41) KMT2ATLR2ADRB2ADRB1ADRB3
SCHEMBL19996556 0.82 ACHE (0.44) KMT2ALMNATDP1CHRNA7ADRB2
SCHEMBL19996568 0.78 KMT2A (0.48) KMT2ALMNAADRB2ADRB1ADRB3
SCHEMBL23964466 0.78 L3MBTL1 (0.40) KMT2ATDP1KDM4EPRMT5WDR77
SCHEMBL24180469 0.78 CA1 (0.51) TDP1ADRB2ADRB1ADRB3CDC25B
SCHEMBL19996583 0.78 CA1 (0.51) TDP1ADRB2ADRB1ADRB3CDC25B
SCHEMBL19996576 0.77 ALDH1A1 (0.46) KMT2ALMNATDP1ADRB2ADRB1
SCHEMBL20224969 0.74 TBXAS1 (0.60) KMT2ALMNATDP1CHRNA7TBXAS1

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-20210331138-A1 CHROMATOGRAPHIC MATERIALS WATERS TECHNOLOGIES CORPORATION (US) 2021-10-28 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-20210331138-A1 CHROMATOGRAPHIC MATERIALS HAX1, CXCR1, YBX1 KMT2A 2972/4885LMNA 647/4885TDP1 3439/4885

“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.