SCHEMBL31041001

SCHEMBL31041001

Cc1cc2c(cnn2C2CCCCO2)c(Br)c1CCCCOS(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 1/20 0.38
▸ CYP4F2 P78329 2/20 0.35
▸ CYP4A11 Q02928 2/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ ATR Q13535 6/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ PDE1A P54750 1/20 0.31
▸ PDE1B Q01064 1/20 0.31
▸ PDE1C Q14123 1/20 0.31

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
SCHEMBL31041012 0.91 KRAS (0.38) KRASCYP4F2CYP4A11RXRARXRB
SCHEMBL30922391 0.89 KRAS (0.38) KRASCYP4F2CYP4A11RXRARXRB
SCHEMBL30922942 0.87 KRAS (0.37) KRASCYP4F2CYP4A11RXRARXRB
SCHEMBL30922698 0.85 CYP4F2 (0.40) KRASCYP4F2CYP4A11RXRARXRB
SCHEMBL30922462 0.85 KRAS (0.37) KRASCYP4F2CYP4A11RXRARXRB
SCHEMBL30922389 0.83 KRAS (0.37) KRASCYP4F2CYP4A11RXRARXRB
SCHEMBL30922422 0.83 CYP4F2 (0.41) KRASCYP4F2CYP4A11RXRARXRB
SCHEMBL31041000 0.82 CYP4F2 (0.37) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30922637 0.81 CYP4F2 (0.35) KRASCYP4F2CYP4A11RXRARXRB
SCHEMBL30922838 0.79 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570672-B2 Macrocyclic compounds and methods of use AMGEN INC. 2026-03-10 — — US disclosed
US-20250304599-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2025-10-02 — — US disclosed
US-20250236631-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2025-07-24 — — US disclosed
US-20240294551-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2024-09-05 — — 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 (4 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-20250236631-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE KRAS, NRAS, HRAS KRAS 1/4885CYP4F2 4059/4885CYP4A11 1348/4885
US-12570672-B2 Macrocyclic compounds and methods of use KRAS, NRAS, BRAF KRAS 1/4885CYP4F2 4455/4885CYP4A11 2667/4885
US-20250304599-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE KRAS, NRAS, HRAS KRAS 1/4885CYP4F2 4059/4885CYP4A11 1348/4885
US-20240294551-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE KRAS, NRAS, HRAS KRAS 1/4885CYP4F2 4059/4885CYP4A11 1348/4885

“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.

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