SCHEMBL31691671

SCHEMBL31691671

COC(=O)/C=C/C=C/c1c(Cl)cc2c(cnn2C2CCCCO2)c1Br

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ SLC6A3 Q01959 4/20 0.33
▸ DGAT2 Q96PD7 1/20 0.33
▸ CYP4F2 P78329 2/20 0.32
▸ CYP4A11 Q02928 2/20 0.32
▸ ATR Q13535 2/20 0.30

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
SCHEMBL30542408 0.83 RXRA (0.37) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL25373206 0.83 RXRA (0.37) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL25373201 0.83 RXRA (0.37) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL31642671 0.83 RXRA (0.38) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL30922889 0.82 RXRA (0.37) RXRARXRBRXRGSLC6A3DGAT2
SCHEMBL30922527 0.81 RXRA (0.39) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL31642907 0.81 RXRA (0.37) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL30922407 0.80 ALDH1A1 (0.39) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL31040992 0.79 RXRA (0.34) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL31127808 0.79 RXRA (0.38) RXRARXRBRXRGDGAT2CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304599-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2025-10-02 — — 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 (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-20250304599-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE KRAS, NRAS, HRAS RXRA 1531/4885RXRB 1041/4885RXRG 1001/4885

“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.

Send feedback