SCHEMBL5405619

SCHEMBL5405619

CC1(CN2C(=O)c3ccccc3C2=O)CCCC(O)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP19 O94966 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ACHE P22303 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL5415138 0.83 CYP1A2 (0.39) USP19CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL14928448 0.77 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19ACHEALDH1A1
SCHEMBL9625632 0.70 ALDH1A1 (0.46) USP19CYP1A2CYP2C9CYP2C19ACHE
SCHEMBL12817939 0.70 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19ACHEALDH1A1
SCHEMBL25959262 0.68 CA12 (0.46) USP19CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL17983173 0.67 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19ACHECRHBP
SCHEMBL31666926 0.67 RPS6KA2 (0.42) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL23644319 0.67 SIGMAR1 (0.48) ALDH1A1
SCHEMBL30291443 0.67 SIGMAR1 (0.48) ALDH1A1
SCHEMBL5404948 0.66 CYP1B1 (0.49) CYP1A2CYP2C9CYP2C19HSD17B10ACHE

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 USP19 3258/4885CYP1A2 2102/4885CYP2C9 3451/4885

“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.