SCHEMBL5887205

SCHEMBL5887205

[c]1c(-c2ccc(Oc3ccccc3)cc2)oc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.40
TSHR P16473 1/20 0.40
GSTP1 P09211 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TLR8 Q9NR97 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.37
NR1H2 P55055 1/20 0.37
BAX Q07812 1/20 0.37
MAOA P21397 1/20 0.37
SCN4A P35499 1/20 0.36
MAOB P27338 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
NISCH Q9Y2I1 1/20 0.34

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
SCHEMBL5887186 0.83 NPC1 (0.44) NPC1RAB9AL3MBTL1MAOBCA1
SCHEMBL5887130 0.70 AHR (0.42) NPC1RAB9AL3MBTL1
SCHEMBL6406035 0.69 LTA4H (0.75) LTA4HTSHRGSTP1NPC1RAB9A
SCHEMBL2860844 0.69 LTA4H (0.75) LTA4HTSHRGSTP1NPC1RAB9A
SCHEMBL197414 0.69 LTA4H (0.75) LTA4HTSHRGSTP1NPC1RAB9A
SCHEMBL9190364 0.66 LTA4H (0.71) LTA4HTSHRGSTP1NPC1RAB9A
Biphenyl SCHEMBL10838288 0.66 LTA4H (0.71) LTA4HTSHRGSTP1NPC1RAB9A
SCHEMBL21921128 0.66 LTA4H (0.71) LTA4HTSHRGSTP1NPC1RAB9A
SCHEMBL403667 0.66 LTA4H (0.71) LTA4HTSHRGSTP1NPC1RAB9A
SCHEMBL29273201 0.66 LTA4H (0.55) LTA4HTSHRGSTP1TLR8CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US claimed
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US disclosed
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-05 US disclosed
US-20050026903-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-03 US disclosed
US-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders JONES TODD K (US) 2005-01-27 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 (3 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-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders CCKAR, CCKBR, NPY1R LTA4H 3106/4885TSHR 187/4885GSTP1 4210/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 LTA4H 936/4885TSHR 301/4885GSTP1 4217/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R LTA4H 3360/4885TSHR 146/4885GSTP1 4526/4885

“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.