SCHEMBL2998396

SCHEMBL2998396

O=C(CCC(=O)ONC1CCCCC1)ONC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.44
EPHX2 P34913 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 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
SCHEMBL11325844 0.92 SMN1; SMN2 (0.48) EPHX1EPHX2SMN1; SMN2NPC1RAB9A
SCHEMBL29061111 0.90 EPHX2 (0.50) EPHX1EPHX2SMN1; SMN2ALDH1A1
SCHEMBL28203533 0.89 TSHR (0.38) EPHX1EPHX2SMN1; SMN2LMNA
SCHEMBL5932290 0.88 EPHX1 (0.43) EPHX1EPHX2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL28819069 0.85 NAAA (0.50) EPHX1EPHX2
SCHEMBL7086774 0.85 ALDH1A1 (0.56) EPHX1SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL11800669 0.84 NAAA (0.57) EPHX1EPHX2
SCHEMBL28866038 0.83 EPHX2 (0.43) EPHX1EPHX2SMN1; SMN2NPC1RAB9A
SCHEMBL27620716 0.83 EPHX2 (0.43) EPHX1EPHX2SMN1; SMN2NPC1RAB9A
SCHEMBL28510616 0.83 NAAA (0.49) EPHX1EPHX2KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024034516-A1 ELECTROCONDUCTIVE PASTE AND CONNECTION STRUCTURE 積水化学工業株式会社 2024-02-15 WO disclosed
US-20100197841-A1 HYDROXY ACID AMINE SALT, METHOD FOR PRODUCING THE SAME, AND RUBBER COMPOSITION CONTAINING THE SAME THE YOKOHAMA RUBBER CO., LTD. 2010-08-05 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-20100197841-A1 HYDROXY ACID AMINE SALT, METHOD FOR PRODUCING THE SAME, AND RUBBER COMPOSITION CONTAINING THE SAME HRH3, HRH2, HRH4 EPHX1 107/4885EPHX2 114/4885SMN1; SMN2 2160/4885

“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.