SCHEMBL2545175

SCHEMBL2545175

CCC(C)OC(=O)C(C(=O)O)C(C[N+](=O)[O-])c1c(OC)cc(OC)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.43
HTT P42858 2/20 0.34
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL2545170 0.80 ALDH1A1 (0.51) ALDH1A1CYP2C19LMNAHTTMAPT
SCHEMBL578528 0.77 ALDH1A1 (0.44) ALDH1A1CYP2C19LMNAMAPTPOLB
SCHEMBL18578806 0.74 ALDH1A1 (0.40) ALDH1A1CYP2C19LMNAMAPTTDP1
SCHEMBL2198547 0.74 ALDH1A1 (0.45) ALDH1A1CYP2C19LMNAMAPTL3MBTL1
SCHEMBL4300636 0.74 ALDH1A1 (0.46) ALDH1A1CYP2C19LMNAMAPTL3MBTL1
SCHEMBL4300640 0.74 ALDH1A1 (0.46) ALDH1A1CYP2C19LMNAMAPTL3MBTL1
SCHEMBL22068862 0.73 ALDH1A1 (0.41) ALDH1A1CYP2C19LMNAMAPTL3MBTL1
SCHEMBL20581598 0.68 ALDH1A1 (0.44) ALDH1A1CYP2C19LMNAHTTMAPT
SCHEMBL20581597 0.68 ALDH1A1 (0.44) ALDH1A1CYP2C19LMNAHTTMAPT
SCHEMBL18106499 0.68 ALDH1A1 (0.50) ALDH1A1CYP2C19LMNAHTTMAPT

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-20130203815-A1 CYTOKINE INHIBITORS Piramal Enterprises Limited (IN) 2013-08-08 US disclosed
EP-2552886-A1 CYTOKINE INHIBITORS Piramal Healthcare Limited (IN) 2013-02-06 EP disclosed
WO-2011121505-A1 CYTOKINE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-10-06 WO 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-20130203815-A1 CYTOKINE INHIBITORS IL1B, IL1A, IL1R1 ALDH1A1 517/4885CYP2C19 1217/4885LMNA 2464/4885

“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.