SCHEMBL31406602

SCHEMBL31406602

CCCCCCc1oc(=O)oc1CBr

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.37
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
CDC25A P30304 6/20 0.34
CDC25B P30305 6/20 0.34
CDC25C P30307 5/20 0.34
MAPT P10636 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
GPR84 Q9NQS5 3/20 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
SCHEMBL31406624 1.00 PPARG (0.37) PPARGACHEBACE1CDC25ACDC25B
SCHEMBL31406633 0.98 PPARG (0.35) PPARGACHEBACE1CDC25ACDC25B
SCHEMBL10504915 0.92 CTRC (0.34) PPARG
SCHEMBL2107621 0.81 CTRC (0.39) PPARGMAPT
SCHEMBL1080657 0.80 PPARG (0.35) PPARGACHEBACE1CDC25ACDC25B
SCHEMBL10701592 0.78 PPARG (0.35) PPARGACHEBACE1CDC25ACDC25B
SCHEMBL7137786 0.78 PPARG (0.35) PPARGACHEBACE1CDC25ACDC25B
SCHEMBL7509115 0.77 PPARG (0.37) PPARGACHEBACE1CDC25ACDC25B
SCHEMBL2193271 0.74 PPARG (0.35) PPARGACHEBACE1CDC25ACDC25B
SCHEMBL7354784 0.74 CTRC (0.35) PPARG

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-12448400-B2 KRAS G12D modulating compounds GILEAD SCIENCES, INC. (US) 2025-10-21 US disclosed
US-20250136621-A1 KRAS G12D MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2025-05-01 US disclosed
US-20250109147-A1 KRAS G12D MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2025-04-03 US disclosed
WO-2025054530-A1 PYRIMIDINE-CONTAINING POLYCYCLIC DERIVATIVES AS KRAS G12D MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2025-03-13 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 (3 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-12448400-B2 KRAS G12D modulating compounds KRAS, NRAS, HRAS PPARG 614/4885ACHE 4876/4885BACE1 2658/4885
US-20250136621-A1 KRAS G12D MODULATING COMPOUNDS KRAS, NRAS, HRAS PPARG 614/4885ACHE 4876/4885BACE1 2658/4885
US-20250109147-A1 KRAS G12D MODULATING COMPOUNDS KRAS, NRAS, HRAS PPARG 614/4885ACHE 4876/4885BACE1 2658/4885

“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.