SCHEMBL29344298

SCHEMBL29344298

Cc1cc2c(cnn2C2CCCCO2)c(Br)c1C=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.41
▸ CYP4A11 Q02928 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ ATR Q13535 9/20 0.37
▸ RET P07949 2/20 0.34
▸ PDE1A P54750 2/20 0.33
▸ PDE1B Q01064 2/20 0.33
▸ PDE1C Q14123 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ PDE9A O76083 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
SCHEMBL29344300 0.90 CYP4F2 (0.40) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL30542395 0.89 CYP4F2 (0.40) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL25372582 0.89 CYP4F2 (0.40) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL25372579 0.89 CYP4F2 (0.40) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL21195793 0.87 CYP4F2 (0.45) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL25795334 0.86 CYP4F2 (0.41) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL30922407 0.86 ALDH1A1 (0.39) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL19948345 0.85 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL24536348 0.84 ALDH1A1 (0.44) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL1709840 0.84 CYP4F2 (0.45) CYP4F2CYP4A11ALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709371-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2026-03-18 — — EP disclosed
EP-4615847-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS Merck Sharp & Dohme LLC (US) 2025-09-17 — — EP disclosed
EP-4598921-A1 MACROCYCLIC KRAS INHIBITORS AND METHODS OF USE Amgen Inc. (US) 2025-08-13 — — EP disclosed
WO-2024233776-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME LLC (US) 2024-11-14 — — WO disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 — — US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 — — US disclosed
WO-2024107686-A1 MACROCYCLIC KRAS INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2024-05-23 — — WO disclosed
WO-2024103010-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC (US) 2024-05-16 — — WO disclosed
EP-4322954-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2024-02-21 — — EP disclosed
WO-2022221739-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME CORP. (US) 2022-10-20 — — 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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS CYP4F2 4690/4885CYP4A11 4627/4885ALDH1A1 2871/4885

“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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