SCHEMBL6601889

SCHEMBL6601889

O=[C]C1CCC(CNC(=O)OCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TGM2 P21980 2/20 0.48
F13A1 P00488 1/20 0.48
TGM1 P22735 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
TSHR P16473 2/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.47
PREP P48147 2/20 0.46
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44

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
SCHEMBL9260332 1.00 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2TGM2F13A1
SCHEMBL8393648 0.90 LMNA (0.58) ALDH1A1LMNASMN1; SMN2TGM2F13A1
SCHEMBL30732657 0.88 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2TGM2F13A1
SCHEMBL11568337 0.88 PREP (0.53) ALDH1A1LMNASMN1; SMN2TGM2F13A1
SCHEMBL29652185 0.85 LMNA (0.52) ALDH1A1LMNASMN1; SMN2TGM2F13A1
SCHEMBL14451403 0.85 LMNA (0.52) ALDH1A1LMNASMN1; SMN2TGM2F13A1
SCHEMBL8029231 0.85 ALDH1A1 (0.61) ALDH1A1LMNASMN1; SMN2TGM2F13A1
SCHEMBL8395084 0.85 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2TGM2F13A1
SCHEMBL13668665 0.84 TPSAB1 (0.54) ALDH1A1LMNASMN1; SMN2TGM2F13A1
SCHEMBL1286692 0.84 LMNA (0.51) ALDH1A1LMNASMN1; SMN2TGM2F13A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 3541/4885LMNA 2226/4885SMN1; SMN2 3394/4885

“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.