SCHEMBL14938401

SCHEMBL14938401

Cc1cc(OCc2ccccc2)ccc1CN(C)Cc1cccc(C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 15/20 0.60
NR4A2 P43354 1/20 0.57
PPARA Q07869 1/20 0.54
TP53 P04637 2/20 0.53
PKM P14618 2/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
RAB9A P51151 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
GFER P55789 1/20 0.51
PAX8 Q06710 1/20 0.51
KLF5 Q13887 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ACHE P22303 1/20 0.49
S1PR1 P21453 1/20 0.49
S1PR5 Q9H228 1/20 0.49

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
SCHEMBL14938410 0.90 NR4A1 (0.56) MRGPRX4NR4A2PPARASMN1; SMN2ACHE
SCHEMBL3034601 0.81 MRGPRX4 (0.61) MRGPRX4NR4A2PPARATP53PKM
SCHEMBL14938416 0.79 ACHE (0.49) ACHE
SCHEMBL14938403 0.79 PKM (0.55) PKMACHE
SCHEMBL22887457 0.76 MRGPRX4 (0.74) MRGPRX4NR4A2TP53PKMNFKB1
SCHEMBL22480958 0.75 MRGPRX4 (1.00) MRGPRX4NR4A2TP53PKMNFKB1
SCHEMBL13195446 0.75 S1PR1 (0.56) RAB9ANPC1S1PR1S1PR5
SCHEMBL339009 0.75 NR4A2 (1.00) MRGPRX4NR4A2SMN1; SMN2
SCHEMBL30207018 0.75 NR4A2 (1.00) MRGPRX4NR4A2SMN1; SMN2
SCHEMBL22480776 0.74 MRGPRX4 (0.75) MRGPRX4NR4A2TP53PKMNFKB1

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 MRGPRX4 89/4885NR4A2 1526/4885PPARA 2040/4885

“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.