SCHEMBL31301795

SCHEMBL31301795

CCOC(=O)CCCC(N)CC(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NR1I2 O75469 1/20 0.41
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PTGS2 P35354 1/20 0.41
PDE4D Q08499 1/20 0.41
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMYD3 Q9H7B4 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
SCHEMBL3873363 0.89 CYP1A2 (0.48) CYP1A2KMT2APOLBL3MBTL1NR1I2
SCHEMBL2329509 0.87 CYP1A2 (0.57) CYP1A2KMT2APOLBL3MBTL1NR1I2
SCHEMBL4934729 0.87 CYP1A2 (0.42) CYP1A2GAAMGAMSIMGAM2
SCHEMBL3223213 0.85 TP53 (0.44) CYP1A2GAAMGAMSIMGAM2
SCHEMBL18736187 0.85 CYP1A2 (0.41) CYP1A2KMT2APOLBL3MBTL1GAA
SCHEMBL1140577 0.85 TP53 (0.44) CYP1A2GAAMGAMSIMGAM2
SCHEMBL4931761 0.84 S1PR2 (0.46) ALDH1A1
SCHEMBL28682838 0.84 S1PR2 (0.46) ALDH1A1
SCHEMBL4935831 0.84 S1PR2 (0.46) ALDH1A1
SCHEMBL28410817 0.84 CYP1A2 (0.53) CYP1A2KMT2APOLBGAAMGAM

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 CYP1A2 2059/4885KMT2A 3438/4885POLB 1241/4885

“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.