SCHEMBL5419719

SCHEMBL5419719

CCCOc1c(OC2CCCCO2)ccc2c1cnn2C1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CYP4F2 P78329 5/20 0.34
▸ CYP4A11 Q02928 5/20 0.34
▸ ATR Q13535 3/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDE4B Q07343 2/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PLA2G1B P04054 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
SCHEMBL1141337 0.85 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL5425273 0.84 RXRA (0.40) RXRARXRBRXRGKDM4CNPC1
SCHEMBL5418094 0.82 RXRA (0.42) RXRARXRBRXRGKDM4CCYP4F2
SCHEMBL5419556 0.81 RXRA (0.39) RXRARXRBRXRGKDM4CCYP4F2
SCHEMBL5413171 0.80 RXRA (0.40) RXRARXRBRXRGKDM4CCYP4F2
SCHEMBL5409247 0.80 RXRA (0.38) RXRARXRBRXRGKDM4CCYP4F2
SCHEMBL5417592 0.80 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL5407927 0.80 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL5413130 0.80 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL10263333 0.80 RXRA (0.40) 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 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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