SCHEMBL3629022

SCHEMBL3629022

CCc1ccccc1-c1cccc(-c2ccccc2CC)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.45
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
TRPA1 O75762 1/20 0.42
PDK2 Q15119 1/20 0.41
ATR Q13535 1/20 0.40
DHFR P00374 1/20 0.40
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CYP2D6 P10635 1/20 0.39
GRM5 P41594 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
ADORA2A P29274 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL24278885 0.88 CCR1 (0.54) TLR8ADORA2A
SCHEMBL3630731 0.83 GRM5 (0.37) TLR8MEN1RAB9AKMT2AALDH1A1
SCHEMBL3630210 0.80 TLR8 (0.42) TLR8CYP2D6KCNH2
SCHEMBL8775712 0.80 CYP1A2 (0.41) TLR8TRPA1ATRDHFRMEN1
SCHEMBL4777973 0.79 KDM4E (0.50) RAB9AALDH1A1HPGDCYP2D6GRM5
SCHEMBL26740722 0.79 NPC1 (0.57) MEN1RAB9AKMT2AALDH1A1HPGD
SCHEMBL3801556 0.79 LIPG (0.47) TLR8KCNH2
SCHEMBL198461 0.78 CSNK2A2 (0.52) GABRA1GABRB2TRPA1PDK2DHFR
SCHEMBL26184930 0.77 ELANE (0.47) DHFRMEN1RAB9AKMT2AALDH1A1
SCHEMBL28507020 0.76 CCNT1 (0.60) TLR8ATRDHFRALDH1A1ADORA2A

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 4464/4885GABRA1 1785/4885GABRB2 2378/4885

“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.