SCHEMBL30728778

SCHEMBL30728778

CNC(=O)N1CCCC(C)(O)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
CYP1A2 P05177 4/20 0.38
CYP2C9 P11712 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38
VNN1 O95497 1/20 0.38
EPHX2 P34913 7/20 0.37
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX1 P07099 1/20 0.33
CYP3A4 P08684 3/20 0.33
HSD17B10 Q99714 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL19027686 0.85 POLB (0.52) POLBCYP1A2CYP2C9ALDH1A1CYP2D6
SCHEMBL17113709 0.80 POLB (0.54) POLBALDH1A1
SCHEMBL21225975 0.79 GRM5 (0.50) POLBCYP1A2CYP2C9ALDH1A1CYP2D6
SCHEMBL3947734 0.79 VNN1 (0.37) POLBCYP1A2CYP2C9ALDH1A1CYP2D6
SCHEMBL4550437 0.79 CYP3A4 (0.43) CYP1A2ALDH1A1CYP2D6VNN1EPHX2
SCHEMBL12895649 0.78 CYP2C9 (0.51) CYP1A2CYP2C9ALDH1A1CYP2D6TSHR
SCHEMBL17035434 0.78 POLB (0.48) POLBCYP1A2CYP2C9ALDH1A1CYP2D6
SCHEMBL17176082 0.76 POLB (0.56) POLBCYP1A2CYP2C9ALDH1A1CYP2D6
SCHEMBL26650416 0.76 POLB (0.62) POLBCYP1A2CYP2C9ALDH1A1CYP2D6
SCHEMBL22991226 0.74 RIPK1 (0.38) CYP2C9ALDH1A1VNN1EPHX2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250268894-A1 MACROCYCLE COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2025-08-28 US claimed
EP-4558507-A1 MACROCYCLE COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2025-05-28 EP claimed
WO-2024017859-A1 MACROCYCLE COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2024-01-25 WO claimed
EP-4558507-A1 MACROCYCLE COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2025-05-28 EP disclosed
WO-2024017859-A1 MACROCYCLE COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2024-01-25 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-20250268894-A1 MACROCYCLE COMPOUNDS FOR THE TREATMENT OF CANCER H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2, CCNA1 POLB 2626/4885CYP1A2 313/4885CYP2C9 490/4885

“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.