SCHEMBL21637899

SCHEMBL21637899

O=C(NCCC1CCCCC1)N[C@@H]1CCCNC1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 15/20 0.72
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
EPHX2 P34913 4/20 0.46

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
SCHEMBL12196108 0.85 EPHX1 (1.00) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL3418374 0.81 EPHX1 (0.93) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL30832056 0.81 EPHX1 (0.45) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL12260711 0.78 EPHX1 (0.66) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL14100144 0.78 EPHX1 (0.68) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL12260729 0.77 EPHX1 (0.47) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL7776480 0.76 EPHX1 (0.75) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL5109892 0.72 KMT2A (0.50) EPHX1
SCHEMBL14365670 0.72 MAPK1 (0.48) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL17354481 0.72 MAPK1 (0.48) EPHX1KDM4EALDH1A1EPHX2

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
US-20210187111-A1 COMPOSITIONS AND METHODS FOR DISRUPTING A MACROPHAGE NETWORK SCRIPPS HEALTH (US) 2021-06-24 US disclosed
WO-2020018434-A1 COMPOSITIONS AND METHODS FOR DISRUPTING A MACROPHAGE NETWORK SCRIPPS HEALTH (US) 2020-01-23 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-20210187111-A1 COMPOSITIONS AND METHODS FOR DISRUPTING A MACROPHAGE NETWORK MSR1, CD68, CD209 EPHX1 766/4885KDM4E 3715/4885ALDH1A1 4611/4885

“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.