SCHEMBL27329697

SCHEMBL27329697

C=CCCC1(C(=O)OC)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
PKM P14618 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NR1H2 P55055 2/20 0.34
EPHX2 P34913 1/20 0.33
F13A1 P00488 4/20 0.32
TGM2 P21980 4/20 0.32
TGM1 P22735 4/20 0.32
TGM3 Q08188 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL27330068 0.90 CYP4F2 (0.46) CYP4F2CYP4A11PKMUSP2SMN1; SMN2
SCHEMBL27329700 0.88 CYP4F2 (0.36) CYP4F2CYP4A11PKMUSP2SMN1; SMN2
SCHEMBL16113510 0.87 PKM (0.45) CYP4F2CYP4A11PKMUSP2SMN1; SMN2
SCHEMBL27329695 0.86 USP2 (0.36) CYP4F2CYP4A11USP2SMN1; SMN2NR1H2
SCHEMBL20474675 0.86 PKM (0.36) CYP4F2CYP4A11PKMUSP2SMN1; SMN2
SCHEMBL31171459 0.82 CYP4F2 (0.51) CYP4F2CYP4A11PKMUSP2SMN1; SMN2
SCHEMBL28972272 0.81 USP2 (0.39) CYP4F2CYP4A11PKMUSP2SMN1; SMN2
SCHEMBL19586263 0.81 CYP4F2 (0.37) CYP4F2CYP4A11PKMUSP2SMN1; SMN2
SCHEMBL23390562 0.80 NR1H2 (0.42) CYP4F2CYP4A11PKMUSP2SMN1; SMN2
SCHEMBL13011470 0.80 USP2 (0.40) CYP4F2CYP4A11PKMUSP2SMN1; SMN2

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-20250206761-A1 HALOINDOLE MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2025-06-26 US disclosed
WO-2023232776-A1 HALOINDOLE MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2023-12-07 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-20250206761-A1 HALOINDOLE MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2, HRAS CYP4F2 1334/4885CYP4A11 674/4885PKM 3787/4885

“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.