SCHEMBL3630210

SCHEMBL3630210

CCCCc1ccccc1-c1cccc(-c2ccccc2CCCC)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.42
LIPG Q9Y5X9 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
KCNH2 Q12809 1/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CNR2 P34972 1/20 0.38
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS2 P35354 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
SCHEMBL3801556 0.95 LIPG (0.47) TLR8LIPGNR1H2NR1H3KCNH2
SCHEMBL3630731 0.89 GRM5 (0.37) TLR8KCNH2ELANE
SCHEMBL13505762 0.86 TLR8 (0.41) TLR8LIPGNR1H2NR1H3KCNH2
SCHEMBL12668160 0.83 LIPG (0.42) TLR8LIPGNR1H2NR1H3CYP3A4
SCHEMBL4725082 0.82 CYP1A2 (0.49) LIPGNR1H2NR1H3CYP2D6CYP2C9
SCHEMBL2701240 0.82 LIPG (0.50) TLR8LIPGNR1H2NR1H3CYP3A4
SCHEMBL13505989 0.81 LIPG (0.41) TLR8LIPGNR1H2NR1H3CYP3A4
SCHEMBL26184932 0.80 TLR8 (0.43) TLR8CYP3A4ELANE
SCHEMBL3629022 0.80 TLR8 (0.45) TLR8KCNH2CYP2D6
SCHEMBL7234942 0.77 ALOX5 (0.51) LIPGNR1H2NR1H3KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249431-A1 PROCESS FOR MANUFACTURING DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALST, PROCESS FOR MANUFACTURING BETA-AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-09-30 US disclosed
EP-2208722-A1 PROCESS FOR PRODUCTION OF DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALYST, PROCESS FOR PRODUCTION OF -AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE SALT National University Corporation Nagoya University (JP) 2010-07-21 EP 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-20100249431-A1 PROCESS FOR MANUFACTURING DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALST, PROCESS FOR MANUFACTURING BETA-AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE MGAT2, MPST, MGAT1 TLR8 4464/4885LIPG 668/4885NR1H2 4356/4885

“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.