SCHEMBL15901322

SCHEMBL15901322

CCCCCCCCCCCCC=Cc1nccn1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
KCNA3 P22001 2/20 0.39
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
FAAH O00519 2/20 0.39
EPHX2 P34913 2/20 0.39
BRD4 O60885 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
CYP19A1 P11511 3/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 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
SCHEMBL29058195 0.81 TLR8 (0.51) POLBFAAHKMT2A
SCHEMBL29006278 0.81 TLR8 (0.42) POLBFAAHKMT2A
SCHEMBL9069375 0.77 TLR8 (0.41) POLBFAAHKMT2A
Hydrochloric Acid SCHEMBL1628074 0.76 TLR8 (0.42) POLBFAAHKMT2A
Water SCHEMBL3401807 0.76 TLR8 (0.40) POLBFAAHKMT2A
SCHEMBL29006295 0.76 ALDH1A1 (0.42) POLBKMT2A
SCHEMBL31180288 0.76 PPARG (0.47) POLBHPGDFAAHHSD17B10LMNA
SCHEMBL29006302 0.75 MGLL (0.41) POLBFAAHKMT2A
SCHEMBL28803217 0.75 ALDH1A1 (0.46) HPGDBRD4HSD17B10LMNAMEN1
SCHEMBL29006290 0.75 MGLL (0.41) POLBFAAHKMT2A

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-9131692-B2 Antibacterial imidazolium compound and antibacterial photocurable thiol-ene compositions comprising the same, and antibacterial polymer coatins prepared therefrom KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-09-15 US disclosed
US-20140212374-A1 ANTIBACTERIAL IMIDAZOLIUM COMPOUND AND ANTIBACTERIAL PHOTOCURABLE THIOL-ENE COMPOSITIONS COMPRISING THE SAME, AND ANTIBACTERIAL POLYMER COATINS PREPARED THEREFROM KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-07-31 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 (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-20140212374-A1 ANTIBACTERIAL IMIDAZOLIUM COMPOUND AND ANTIBACTERIAL PHOTOCURABLE THIOL-ENE COMPOSITIONS COMPRISING THE SAME, AND ANTIBACTERIAL POLYMER COATINS PREPARED THEREFROM WASF2, MACF1, ETF1 POLB 2145/4885HPGD 4155/4885HTT 3809/4885

“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.