SCHEMBL5417592

SCHEMBL5417592

CC(C)(O)c1c(OC2CCCCO2)ccc2c1cnn2C1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ ATR Q13535 7/20 0.36
▸ CYP4F2 P78329 5/20 0.36
▸ CYP4A11 Q02928 5/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PDE4B Q07343 3/20 0.33
▸ PDE4A P27815 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32

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
SCHEMBL5418094 0.86 RXRA (0.42) RXRARXRBRXRGATRCYP4F2
SCHEMBL5413171 0.84 RXRA (0.40) RXRARXRBRXRGATRCYP4F2
SCHEMBL5407927 0.83 RXRA (0.38) RXRARXRBRXRGATRCYP4F2
SCHEMBL5425273 0.83 RXRA (0.40) RXRARXRBRXRGATRCYP4F2
SCHEMBL5409247 0.83 RXRA (0.38) RXRARXRBRXRGATRCYP4F2
SCHEMBL5413130 0.81 RXRA (0.38) RXRARXRBRXRGATRCYP4F2
SCHEMBL5412256 0.81 RXRA (0.38) RXRARXRBRXRGATRCYP4F2
SCHEMBL5419556 0.81 RXRA (0.39) RXRARXRBRXRGATRCYP4F2
SCHEMBL5419719 0.80 RXRA (0.38) RXRARXRBRXRGATRCYP4F2
SCHEMBL5415346 0.79 ATR (0.40) RXRARXRBRXRGATR

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-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 — — US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 — — US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 — — EP 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA RXRA 1096/4885RXRB 1324/4885RXRG 1147/4885

“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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