SCHEMBL14938416

SCHEMBL14938416

Cc1cc(OCCc2ccccc2)ccc1CN(C)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.49
BCHE P06276 8/20 0.49
LPAR1 Q92633 4/20 0.47
LPAR5 Q9H1C0 4/20 0.47
SLC2A1 P11166 1/20 0.46
ATM Q13315 1/20 0.46
BCL2 P10415 2/20 0.46

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
SCHEMBL14938403 0.91 PKM (0.55) ACHEBCHELPAR1LPAR5ATM
SCHEMBL14938410 0.89 NR4A1 (0.56) ACHEBCHE
SCHEMBL3039207 0.83 MEN1 (0.59) ACHEBCHELPAR1LPAR5BCL2
SCHEMBL3040571 0.81 MEN1 (0.63) ACHEBCHEBCL2
SCHEMBL14938401 0.79 MRGPRX4 (0.60) ACHE
SCHEMBL3032034 0.79 LTA4H (0.59) ACHEBCHELPAR1LPAR5BCL2
SCHEMBL4327125 0.75 PKM (0.73)
SCHEMBL16062223 0.75 ACHE (0.64) ACHEBCHE
SCHEMBL14569771 0.75 TSHR (0.69) ACHEBCHEATM
SCHEMBL3038720 0.74 PKM (0.67) ACHEBCHEATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123243-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS, INC. 2013-05-16 US 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-20130123243-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S ACHE 328/4885BCHE 892/4885LPAR1 139/4885

“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.