SCHEMBL5372853

SCHEMBL5372853

CCCCCc1cc(Cc2cc(CCCCC)c(N)c(CCCCC)c2)cc(CCCCC)c1N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 10/20 0.41
PTGS2 P35354 3/20 0.41
CYP3A4 P08684 2/20 0.41
HTR2A P28223 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPT P10636 1/20 0.39
TYR P14679 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL9766396 0.98 TLR8 (0.43) TLR8PTGS2CYP3A4HTR2AMEN1
SCHEMBL5377737 0.98 TLR8 (0.43) TLR8PTGS2CYP3A4HTR2AMEN1
SCHEMBL831156 0.94 SKP2 (0.41) TLR8TYRHTT
SCHEMBL5377222 0.90 SKP2 (0.39) TLR8TYRHTT
SCHEMBL3937871 0.88 POLB (0.40) TLR8TYRHTT
SCHEMBL3945176 0.88 POLB (0.40) TLR8TYRHTT
SCHEMBL14003767 0.88 PTGS2 (0.53) TLR8PTGS2CYP3A4HTR2ATP53
SCHEMBL7549595 0.85 SKP2 (0.47) TLR8CYP3A4TP53MAPTTYR
SCHEMBL1100124 0.85 DHFR (0.41) HTT
SCHEMBL174991 0.83 TLR8 (0.43) TLR8PTGS2CYP3A4HTR2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115960328-A Additives for 3D printing techniques 赢创运营有限公司 2023-04-14 CN disclosed
US-7202359-B2 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2007-04-10 US disclosed
US-20050085634-A1 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2005-04-21 US 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 4587/4885PTGS2 1169/4885CYP3A4 1456/4885
US-20050085634-A1 Azaoxa heterocyclic compound and method of preparing the same AOX1, KDM1A, BMI1 TLR8 4563/4885PTGS2 1193/4885CYP3A4 1249/4885

“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.