SCHEMBL22225447

SCHEMBL22225447

NCCOCCOCCOCCNC(=O)CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.61
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PTP4A3 O75365 1/20 0.43
HSD11B1 P28845 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 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
SCHEMBL15597241 1.00 EPHX2 (0.61) EPHX2ALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL15532610 0.99 EPHX2 (0.59) EPHX2ALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL17471623 0.91 EPHX2 (0.61) EPHX2ALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL24201247 0.87 EPHX2 (0.62) EPHX2ALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL24201340 0.87 EPHX2 (0.62) EPHX2ALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL19509238 0.86 EPHX2 (0.81) EPHX2ALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL17457691 0.85 ALDH1A1 (0.61) EPHX2ALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL24201255 0.84 EPHX2 (0.60) EPHX2ALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL19509240 0.83 EPHX2 (0.62) EPHX2ALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL30927843 0.83 ALDH1A1 (0.66) EPHX2ALDH1A1SMN1; SMN2CYP3A4CYP2C19

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-11124483-B2 HER3 ligands and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-21 US disclosed
US-20200223799-A1 HER3 LIGANDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-07-16 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 (2 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-11124483-B2 HER3 ligands and uses thereof ERBB3, ERBB2, EGFR EPHX2 850/4885ALDH1A1 3637/4885SMN1; SMN2 4500/4885
US-20200223799-A1 HER3 LIGANDS AND USES THEREOF ERBB3, ERBB2, EGFR EPHX2 850/4885ALDH1A1 3637/4885SMN1; SMN2 4500/4885

“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.