SCHEMBL14938410

SCHEMBL14938410

Cc1cc(OCc2ccccc2)ccc1CN(C)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.56
NR4A2 P43354 1/20 0.56
NR4A3 Q92570 1/20 0.56
ACHE P22303 8/20 0.53
SRD5A2 P31213 2/20 0.52
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAOB P27338 6/20 0.51
BCHE P06276 3/20 0.51
MAOA P21397 3/20 0.51
CYP3A4 P08684 1/20 0.51
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
PLA2G4B P0C869 1/20 0.50
PPARA Q07869 1/20 0.50
PTGES O14684 1/20 0.50
ALOX5 P09917 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR5 Q9H228 1/20 0.50

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
SCHEMBL14938401 0.90 MRGPRX4 (0.60) NR4A2ACHESMN1; SMN2PPARAS1PR1
SCHEMBL14938416 0.89 ACHE (0.49) ACHEBCHE
SCHEMBL14938403 0.89 PKM (0.55) ACHEBCHE
SCHEMBL3043675 0.82 NR4A2 (0.70) NR4A1NR4A2NR4A3SRD5A2SMN1; SMN2
SCHEMBL3031979 0.80 NR4A1 (0.67) NR4A1NR4A2NR4A3ACHESRD5A2
SCHEMBL16062223 0.77 ACHE (0.64) ACHEBCHE
SCHEMBL9394698 0.76 NR4A2 (0.64) NR4A1NR4A2NR4A3SRD5A2TSHR
SCHEMBL13195446 0.76 S1PR1 (0.56) MAOBALOX5S1PR1S1PR5
SCHEMBL3034601 0.75 MRGPRX4 (0.61) NR4A1NR4A2NR4A3SMN1; SMN2PPARA
SCHEMBL3914337 0.75 S1PR1 (0.60) NR4A1NR4A2NR4A3MAOBRXRA

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 NR4A1 393/4885NR4A2 1526/4885NR4A3 782/4885

“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.