SCHEMBL5152014

SCHEMBL5152014

COc1cccc(-c2c(C(=O)NCCN3CCOCC3)[nH]c3ccc(S(=O)(=O)Nc4ccc(C(C)(C)C)cc4)cc23)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.58
CYP2C19 P33261 3/20 0.58
ALDH1A1 P00352 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 3/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
BCL2 P10415 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
BACE1 P56817 1/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
GALR3 O60755 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
SCHEMBL3944710 0.96 ALDH1A1 (0.57) CYP2C9CYP2C19ALDH1A1CYP1A2CYP3A4
SCHEMBL5151439 0.91 ALDH1A1 (0.49) CYP2C9CYP2C19ALDH1A1CYP1A2CYP3A4
SCHEMBL5155333 0.90 ALDH1A1 (0.48) CYP2C9CYP2C19ALDH1A1CYP1A2CYP3A4
SCHEMBL4762569 0.89 ALDH1A1 (0.55) CYP2C9CYP2C19ALDH1A1CYP1A2CYP3A4
SCHEMBL3951294 0.87 CYP2C9 (0.49) CYP2C9CYP2C19ALDH1A1CYP1A2CYP3A4
SCHEMBL3943632 0.87 ALDH1A1 (0.47) CYP2C9CYP2C19ALDH1A1CYP1A2CYP3A4
SCHEMBL3952555 0.87 ALDH1A1 (0.47) CYP2C9CYP2C19ALDH1A1CYP1A2CYP3A4
SCHEMBL3943840 0.87 ALDH1A1 (0.47) CYP2C9CYP2C19ALDH1A1CYP1A2CYP3A4
SCHEMBL4112147 0.86 ALDH1A1 (0.46) CYP2C9CYP2C19ALDH1A1CYP1A2CYP3A4
SCHEMBL14307300 0.86 ALDH1A1 (0.46) CYP2C9CYP2C19ALDH1A1CYP1A2CYP3A4

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-20070197524-A1 Fluorenes and carbazoles as ligands of the EP2 receptor BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-08-23 US disclosed
WO-2007071456-A1 FLUORENES AND CARBAZOLES AS LIGANDS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-06-28 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-20070197524-A1 Fluorenes and carbazoles as ligands of the EP2 receptor PTGER2, PTGER1, PTGDR2 CYP2C9 497/4885CYP2C19 160/4885ALDH1A1 1845/4885

“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.