SCHEMBL30759409

SCHEMBL30759409

O=C(O)C(O)Cc1ccccc1F

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.51
PPARA Q07869 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
PTPRA P18433 1/20 0.47
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
KDM4E B2RXH2 1/20 0.42
CXCL8 P10145 2/20 0.41
PTPN1 P18031 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
KDM6B O15054 1/20 0.41

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
SCHEMBL10170670 1.00 PPARG (0.51) PPARGPPARASMN1; SMN2PTPRAALDH1A1
SCHEMBL8953481 1.00 PPARG (0.51) PPARGPPARASMN1; SMN2PTPRAALDH1A1
SCHEMBL3351318 1.00 PPARG (0.51) PPARGPPARASMN1; SMN2PTPRAALDH1A1
SCHEMBL1822200 1.00 PPARG (0.51) PPARGPPARASMN1; SMN2PTPRAALDH1A1
SCHEMBL16815808 0.85 SMN1; SMN2 (0.44) PPARGPPARASMN1; SMN2PTPRAKDM6B
SCHEMBL28185307 0.85 SMN1; SMN2 (0.44) PPARGPPARASMN1; SMN2PTPRAKDM6B
SCHEMBL7274320 0.82 CYP1A2 (0.55) PPARGPPARAALDH1A1KMT2AMEN1
SCHEMBL8953483 0.81 PPARG (0.56) PPARGPPARASMN1; SMN2ALDH1A1KMT2A
SCHEMBL6443526 0.79 KDM4E (0.51) PPARGPPARASMN1; SMN2ALDH1A1KMT2A
SCHEMBL7506333 0.79 PPARG (0.54) PPARGPPARAALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2026-01-01 US disclosed
EP-4558513-A1 MACROCYCLIC PEPTIDES TARGETING KRAS Merck Sharp & Dohme LLC (US) 2025-05-28 EP disclosed
WO-2024020159-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 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-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS KRAS, NRAS, HRAS PPARG 2133/4885PPARA 3452/4885SMN1; SMN2 457/4885

“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.