SCHEMBL31301752

SCHEMBL31301752

CCOC(=O)CCCC(CC(=O)OCC)NCc1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
EPHX2 P34913 1/20 0.42
KMT2A Q03164 2/20 0.42
GLA P06280 1/20 0.42
TBXAS1 P24557 4/20 0.42
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LTA4H P09960 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL20640886 0.84 KMT2A (0.45) ALOX15EPHX2KMT2AGLAHPGD
SCHEMBL21124124 0.80 KMT2A (0.48) EPHX2KMT2AGLAHPGDMEN1
SCHEMBL25609127 0.78 ALDH1A1 (0.47) EPHX2KMT2AHPGDMEN1L3MBTL1
SCHEMBL537492 0.77 KDM4E (0.62) KMT2AGLAMEN1L3MBTL1KDM4E
SCHEMBL4856268 0.77 PKM (0.48) EPHX2ALDH1A1LMNASMN1; SMN2
SCHEMBL335080 0.75 EPHX2 (0.44) ALOX15EPHX2KMT2AHPGDMEN1
SCHEMBL1239542 0.75 ALOX5 (0.65) KMT2AGLAL3MBTL1ALDH1A1LMNA
SCHEMBL4849226 0.75 PPID (0.51) EPHX2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL9832496 0.74 KDM4E (0.58) ALOX15KMT2AGLAMEN1L3MBTL1
SCHEMBL13148455 0.74 ALOX15 (0.46) ALOX15EPHX2KMT2AGLATBXAS1

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
EP-4719602-A1 ANTI-HIV COMPOUNDS GILEAD SCIENCES, INC. (US) 2026-04-08 EP disclosed
US-20250051375-A1 ANTI-HIV COMPOUNDS GILEAD SCIENCES, INC. 2025-02-13 US disclosed
WO-2024249517-A1 ANTI-HIV COMPOUNDS GILEAD SCIENCES, INC. (US) 2024-12-05 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-20250051375-A1 ANTI-HIV COMPOUNDS CCR5, CD4, NFATC1 ALOX15 2174/4885EPHX2 4452/4885KMT2A 3438/4885

“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.