SCHEMBL31301745

SCHEMBL31301745

CCOC(=O)CN(CCCC(=O)OC)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.52
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
NCOR2 Q9Y618 2/20 0.46
LTA4H P09960 5/20 0.46
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.44
MEP1B Q16820 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PIN1 Q13526 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL30311604 0.95 ALOX5 (0.55) ALOX5BCHEACHEHDAC3HDAC1
SCHEMBL6659347 0.93 ALOX5 (0.59) ALOX5BCHEACHEHDAC3HDAC1
SCHEMBL18255136 0.92 TDP1 (0.49) ALOX5BCHEACHELTA4HTDP1
SCHEMBL28479321 0.91 HDAC3 (0.51) ALOX5BCHEACHEHDAC3HDAC1
SCHEMBL2479772 0.90 ALOX5 (0.55) ALOX5BCHEACHEHDAC3HDAC1
SCHEMBL5407867 0.90 BCHE (0.55) ALOX5BCHEACHEHDAC3HDAC1
SCHEMBL10848318 0.90 ALOX5 (0.51) ALOX5BCHEACHEHDAC3HDAC1
SCHEMBL29151455 0.87 ALOX5 (0.47) ALOX5BCHEACHEHDAC3HDAC1
SCHEMBL1713228 0.86 ALOX5 (0.63) ALOX5BCHEACHEHDAC3HDAC1
SCHEMBL1836157 0.86 ALOX5 (0.63) ALOX5BCHEACHEHDAC3HDAC1

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 ALOX5 2369/4885BCHE 2493/4885ACHE 3255/4885

“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.