SCHEMBL24460602

SCHEMBL24460602

Brc1cccc2ccc3c(cnn3C3CCCCO3)c12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ RXRG P48443 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP4F2 P78329 5/20 0.38
▸ CYP4A11 Q02928 5/20 0.38
▸ PDE10A Q9Y233 1/20 0.34
▸ ATR Q13535 4/20 0.33
▸ RET P07949 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAP3K5 Q99683 1/20 0.32
▸ PDE9A O76083 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL29563271 1.00 RXRA (0.43) RXRARXRBRXRGALDH1A1POLB
SCHEMBL29416187 0.85 RXRA (0.42) RXRARXRBRXRGALDH1A1POLB
SCHEMBL156398 0.85 RXRA (0.42) RXRARXRBRXRGALDH1A1POLB
SCHEMBL24460594 0.83 RXRA (0.41) RXRARXRBRXRGALDH1A1POLB
SCHEMBL31105959 0.78 ALDH1A1 (0.45) RXRARXRBRXRGALDH1A1POLB
SCHEMBL767423 0.78 RXRA (0.43) RXRARXRBRXRGALDH1A1POLB
SCHEMBL768120 0.78 RXRA (0.43) RXRARXRBRXRGALDH1A1POLB
SCHEMBL1141295 0.78 RXRA (0.46) RXRARXRBRXRGALDH1A1POLB
SCHEMBL767841 0.78 RXRA (0.43) RXRARXRBRXRGALDH1A1POLB
SCHEMBL23458850 0.78 ALDH1A1 (0.44) RXRARXRBRXRGALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416266-A1 6,7-DIHYDRO-PYRANO[2,3-d]PYRIMIDINE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME LLC 2023-12-28 — — US disclosed
WO-2022109485-A1 6,7-DIHYDRO-PYRANO[2,3-D]PYRIMIDINE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2022-05-27 — — 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-20230416266-A1 6,7-DIHYDRO-PYRANO[2,3-d]PYRIMIDINE INHIBITORS OF KRAS G12C MUTANT KRAS, NRAS, HRAS RXRA 2558/4885RXRB 1826/4885RXRG 2757/4885

“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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