SCHEMBL5413130

SCHEMBL5413130

C=Cc1c(OC2CCCCO2)ccc2c1cnn2C1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP4F2 P78329 5/20 0.32
▸ CYP4A11 Q02928 5/20 0.32
▸ PTPN1 P18031 3/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ ATR Q13535 2/20 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
SCHEMBL5413171 0.84 RXRA (0.40) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL5418094 0.84 RXRA (0.42) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL5425273 0.83 RXRA (0.40) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL24373738 0.81 CYP4F2 (0.42) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL21198237 0.81 ALDH1A1 (0.42) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL5417592 0.81 RXRA (0.40) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL5407927 0.81 RXRA (0.38) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL5409247 0.81 RXRA (0.38) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL5412256 0.81 RXRA (0.38) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL5419556 0.81 RXRA (0.39) RXRARXRBRXRGALDH1A1LMNA

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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