SCHEMBL5001965

SCHEMBL5001965

CCC(CCOc1ccc(Oc2nc3ccccc3o2)cc1)N(C)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.52
KCNH2 Q12809 1/20 0.51
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38
ATP4A P20648 7/20 0.38
ATP4B P51164 7/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL5001617 0.88 LTA4H (0.43) LTA4HKCNH2PPARGPPARA
SCHEMBL2167628 0.76 LTA4H (0.59) LTA4HKCNH2PPARG
SCHEMBL2169395 0.76 LTA4H (0.61) LTA4HKCNH2MEN1MAPTKMT2A
SCHEMBL2170516 0.75 LTA4H (0.52) LTA4HKCNH2MEN1MAPTKMT2A
SCHEMBL2170843 0.75 LTA4H (0.57) LTA4HKCNH2MEN1MAPTKMT2A
SCHEMBL2169149 0.75 LTA4H (0.61) LTA4HKCNH2ATP4AATP4B
SCHEMBL2167625 0.74 LTA4H (0.59) LTA4HKCNH2MEN1MAPTKMT2A
SCHEMBL2168934 0.74 LTA4H (0.59) LTA4HKCNH2ATP4AATP4B
SCHEMBL2170524 0.73 LTA4H (0.54) LTA4HKCNH2MEN1MAPTKMT2A
SCHEMBL2170519 0.73 LTA4H (0.56) LTA4HKCNH2ATP4AATP4B

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-20080194630-A1 Leukotriene A-4 hydrolase inhibitors; antiinflammatory agents; skin disorders; analgesics; stroke; anticancer agents; antiallergens; rhinitis;cystic fibrosis;sepsis JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-14 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-20080194630-A1 Leukotriene A-4 hydrolase inhibitors; antiinflammatory agents; skin disorders; analgesics; stroke; anticancer agents; antiallergens; rhinitis;cystic fibrosis;sepsis LTA4H, LTC4S, LTB4R LTA4H 1/4885KCNH2 2161/4885MEN1 3775/4885

“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.