SCHEMBL5417212

SCHEMBL5417212

CCCN1C2CCC1CC(Nc1ccc3c(cnn3C3CCCCO3)c1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.47
▸ RXRB P28702 1/20 0.47
▸ RXRG P48443 1/20 0.47
▸ ROCK2 O75116 5/20 0.38
▸ ROCK1 Q13464 5/20 0.38
▸ ARHGDIA P52565 4/20 0.38
▸ HPGD P15428 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ATR Q13535 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ HTR2A P28223 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
SCHEMBL5422058 0.79 RXRA (0.47) RXRARXRBRXRGHPGDALDH1A1
SCHEMBL5404335 0.79 RXRA (0.43) RXRARXRBRXRGHPGDALDH1A1
SCHEMBL5417653 0.79 ROCK2 (0.41) ROCK2ROCK1ARHGDIAHPGDALDH1A1
SCHEMBL29672462 0.74 RXRA (0.62) RXRARXRBRXRGHPGDALDH1A1
SCHEMBL10231494 0.74 RXRA (0.64) RXRARXRBRXRGALDH1A1POLB
SCHEMBL660475 0.73 RXRA (0.53) RXRARXRBRXRGROCK2ROCK1
SCHEMBL660005 0.72 RXRA (0.52) RXRARXRBRXRGKMT2AGAA
SCHEMBL770688 0.72 RXRA (0.58) RXRARXRBRXRGALDH1A1POLB
SCHEMBL14553589 0.71 RXRA (0.57) RXRARXRBRXRGALDH1A1POLB
SCHEMBL5404336 0.70 ROCK2 (0.70) ROCK2ROCK1ARHGDIA

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.

Send feedback