SCHEMBL23964627

SCHEMBL23964627

O=C(CCCOCC(O)COCc1cccnc1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
CA1 P00915 3/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CHRNA7 P36544 1/20 0.41
NAMPT P43490 1/20 0.40
CYP3A4 P08684 1/20 0.40
TBXAS1 P24557 5/20 0.40
KDM4E B2RXH2 1/20 0.40
LPAR1 Q92633 3/20 0.39
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 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
SCHEMBL24180469 0.89 CA1 (0.51) TDP1CA1CA2CA7CA9
SCHEMBL19996583 0.89 CA1 (0.51) TDP1CA1CA2CA7CA9
SCHEMBL19996556 0.86 ACHE (0.44) LMNAKMT2ATDP1CHRNA7CYP3A4
SCHEMBL23964465 0.86 KMT2A (0.42) LMNAKMT2ATDP1PRMT5WDR77
SCHEMBL19996566 0.82 PRMT5 (0.42) LMNAKMT2APRMT5WDR77CA1
SCHEMBL19996576 0.81 ALDH1A1 (0.46) LMNAKMT2ATDP1CA1CA2
SCHEMBL19996584 0.80 LPAR1 (0.39) KMT2ATDP1CA1CA2CA7
SCHEMBL20224969 0.78 TBXAS1 (0.60) LMNAKMT2ATDP1CHRNA7CYP3A4
SCHEMBL9587238 0.78 TBXAS1 (0.56) LMNAKMT2ATDP1NAMPTCYP3A4
SCHEMBL6181708 0.78 ALDH1A1 (0.58) LMNAKMT2ATDP1CYP3A4

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 LMNA 647/4885KMT2A 2972/4885TDP1 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.