SCHEMBL24968167

SCHEMBL24968167

CNc1ccc2c(cnn2C2CCCCO2)c1Br

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42
▸ CYP4F2 P78329 5/20 0.38
▸ CYP4A11 Q02928 5/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ YTHDC1 Q96MU7 1/20 0.34
▸ ATR Q13535 7/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RET P07949 1/20 0.31
▸ PDE1A P54750 1/20 0.30
▸ PDE1B Q01064 1/20 0.30
▸ PDE1C Q14123 1/20 0.30
▸ PDE9A O76083 1/20 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
SCHEMBL19637212 0.85 CYP4F2 (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21198168 0.82 ALDH1A1 (0.45) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL19949097 0.82 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21196032 0.82 CYP4F2 (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL25426460 0.82 RXRA (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30758927 0.82 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29478977 0.82 CYP4F2 (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL19617703 0.82 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30064825 0.82 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL19948341 0.82 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11

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-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2023-01-26 — — 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-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA RXRA 2845/4885RXRB 2693/4885RXRG 2410/4885

“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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