SCHEMBL18065786

SCHEMBL18065786

CN(CCc1ccc(C(=O)O)cc1)CCN(C)Cc1ccc(OCCOc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
KCNH2 Q12809 1/20 0.57
LTA4H P09960 3/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ACHE P22303 5/20 0.54
BCHE P06276 4/20 0.54
LPAR1 Q92633 1/20 0.51
LPAR5 Q9H1C0 1/20 0.51
TSHR P16473 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
SCHEMBL3038720 0.94 PKM (0.67) PKMLTA4HMEN1KMT2AACHE
SCHEMBL3039207 0.90 MEN1 (0.59) PKMLTA4HMEN1KMT2AACHE
SCHEMBL3042578 0.89 MEN1 (0.64) PKMLTA4HMEN1KMT2AACHE
SCHEMBL14569696 0.87 TSHR (0.66) PKMLTA4HMEN1KMT2AACHE
SCHEMBL3040571 0.85 MEN1 (0.63) LTA4HMEN1KMT2AACHEBCHE
SCHEMBL14569771 0.84 TSHR (0.69) PKMMEN1KMT2AACHEBCHE
SCHEMBL18065785 0.83 PKM (0.52) PKMLTA4HMEN1KMT2AACHE
Hydrochloric Acid SCHEMBL10375036 0.83 SIGMAR1 (0.55) LTA4HMEN1KMT2AACHELPAR1
SCHEMBL20249532 0.82 TSHR (0.63) LTA4HMEN1KMT2AACHEBCHE
SCHEMBL3043675 0.82 NR4A2 (0.70) LTA4H

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-20160272649-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS INC (US) 2016-09-22 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-20160272649-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S PKM 4171/4885KCNH2 1530/4885LTA4H 1/4885

“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.