SCHEMBL4332327

SCHEMBL4332327

CCOC(=O)CCc1ccc(OC)c(CN)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.52
CYP4A11 Q02928 2/20 0.52
TLR7 Q9NYK1 1/20 0.48
KMT2A Q03164 1/20 0.47
TNF P01375 1/20 0.46
DPP4 P27487 2/20 0.46
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP4Z1 Q86W10 1/20 0.43
DRD2 P14416 1/20 0.43
ALOX5 P09917 1/20 0.42

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
SCHEMBL2432179 0.90 CYP4F2 (0.56) CYP4F2CYP4A11TLR7KMT2ALMNA
SCHEMBL2623696 0.86 TLR7 (0.47) CYP4F2CYP4A11TLR7KMT2A
SCHEMBL491276 0.84 CYP4F2 (0.59) CYP4F2CYP4A11KMT2ALMNASMN1; SMN2
SCHEMBL25118388 0.83 CYP4F2 (0.55) CYP4F2CYP4A11CYP4Z1ALOX5
SCHEMBL4459432 0.83 TLR7 (0.53) CYP4F2CYP4A11TLR7
SCHEMBL8984891 0.83 CYP4F2 (0.58) CYP4F2CYP4A11KMT2ALMNASMN1; SMN2
SCHEMBL2632416 0.83 CYP4F2 (0.58) CYP4F2CYP4A11KMT2ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6986396 0.82 CYP4F2 (0.54) CYP4F2CYP4A11TLR7KMT2ATNF
Hydrochloric Acid SCHEMBL27590314 0.82 CYP4F2 (0.54) CYP4F2CYP4A11TLR7CYP4Z1
SCHEMBL27407292 0.82 CYP4F2 (0.54) CYP4F2CYP4A11DPP4CYP4Z1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP disclosed
CN-1156443-A Benzocycloalkene compound, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-08-06 CN 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 CYP4F2 792/4885CYP4A11 188/4885TLR7 600/4885

“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.