SCHEMBL5374367

SCHEMBL5374367

CCCCCc1cc(Oc2cc(CCCCC)c(N)c(CCCCC)c2)cc(CCCCC)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.40
ALOX5 P09917 7/20 0.40
HTR2A P28223 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
TYR P14679 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGS2 P35354 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
PTGES O14684 1/20 0.36
TOP2A P11388 1/20 0.36

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
SCHEMBL5388379 0.98 HTR2A (0.41) TLR8ALOX5HTR2ACA1CA2
SCHEMBL3939086 0.94 TLR8 (0.39) TLR8ALOX5HTR2ACA1CA2
SCHEMBL3940715 0.85 HMGCR (0.35) HTT
SCHEMBL174991 0.81 TLR8 (0.43) TLR8ALOX5HTR2ATSHRTDP1
SCHEMBL28919516 0.80 PTGS2 (0.43) TLR8ALOX5HTR2ATDP1PTGS2
SCHEMBL5382655 0.79 NR4A1 (0.45) TLR8ALOX5HTR2ATSHRTDP1
SCHEMBL28961556 0.78 TSHR (0.41) TLR8TSHRTDP1MEN1TP53
SCHEMBL5377404 0.78 NR4A1 (0.44) TLR8ALOX5HTR2ATSHRTDP1
SCHEMBL14003767 0.78 PTGS2 (0.53) TLR8HTR2ACA1CA2CA9
SCHEMBL5372853 0.78 TLR8 (0.41) TLR8ALOX5HTR2ATSHRTDP1

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-7202359-B2 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2007-04-10 US disclosed
CN-1234706-C Nitrogen-oxygen heterocyclic compound and preparation method thereof CHANGCHUN ARTIFICIAL RESIN FAC (CN) 2006-01-04 CN disclosed
US-20050085634-A1 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2005-04-21 US disclosed
CN-1490318-A Nitrogen-oxygen heterocyclic compound and preparation method thereof 长春人造树脂厂股份有限公司 2004-04-21 CN disclosed
US-20040068084-A1 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2004-04-08 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 (2 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-20040068084-A1 Azaoxa heterocyclic compound and method of preparing the same AOX1, KDM1A, BMI1 TLR8 4587/4885ALOX5 137/4885HTR2A 2472/4885
US-20050085634-A1 Azaoxa heterocyclic compound and method of preparing the same AOX1, KDM1A, BMI1 TLR8 4563/4885ALOX5 112/4885HTR2A 2448/4885

“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.