SCHEMBL5415156

SCHEMBL5415156

Cc1c(O[C@H]2CC[C@H](N3CCCC3)CC2)ccc2c1cnn2C1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ CYP4F2 P78329 2/20 0.34
▸ CYP4A11 Q02928 2/20 0.34
▸ AXL P30530 6/20 0.34
▸ TYRO3 Q06418 6/20 0.34
▸ MERTK Q12866 6/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ ADRA1D P25100 2/20 0.33
▸ ADRA1A P35348 2/20 0.33
▸ ADRA1B P35368 2/20 0.33
▸ ATR Q13535 4/20 0.33
▸ TNF P01375 1/20 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
SCHEMBL5415159 1.00 RXRA (0.36) RXRARXRBRXRGKCNH2HRH3
SCHEMBL5407733 0.94 IRAK4 (0.40) RXRARXRBRXRGHRH3CYP4F2
SCHEMBL5418192 0.90 RXRA (0.35) RXRARXRBRXRGKCNH2HRH3
SCHEMBL5418186 0.90 RXRA (0.35) RXRARXRBRXRGKCNH2HRH3
SCHEMBL5418188 0.90 RXRA (0.35) RXRARXRBRXRGKCNH2HRH3
SCHEMBL5412575 0.87 ALDH1A1 (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL5412574 0.87 ALDH1A1 (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL5413157 0.87 ALDH1A1 (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL5408704 0.84 ATR (0.36) RXRARXRBRXRGHRH3CYP4F2
SCHEMBL5408710 0.84 ATR (0.36) RXRARXRBRXRGHRH3CYP4F2

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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