SCHEMBL9608258

SCHEMBL9608258

CCc1ccc([I+]c2cccc(C)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
TP53 P04637 3/20 0.37
TAAR1 Q96RJ0 1/20 0.36
POLB P06746 3/20 0.36
LMNA P02545 2/20 0.36
IDO1 P14902 2/20 0.35
MAPT P10636 2/20 0.35
CXCR4 P61073 1/20 0.35
KDM1A O60341 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL31477910 0.82 ACHE (0.58) ACHETP53LMNAMAPTCYP1A2
SCHEMBL426367 0.80 TP53 (0.59) TP53TAAR1POLBLMNAMAPT
SCHEMBL241973 0.79 TP53 (0.48) TP53TAAR1LMNAIDO1KDM1A
SCHEMBL4949117 0.74 ACHE (0.48) ACHETP53MAPTCYP1A2HTR2A
SCHEMBL30540403 0.73 TP53 (0.50) TP53TAAR1POLBLMNAMAPT
SCHEMBL30540395 0.73 ACHE (0.42) ACHEPOLBLMNAMAPTCYP1A2
SCHEMBL27689803 0.72 TAAR1 (0.50) ACHETP53TAAR1POLBLMNA
Ethylbenzene SCHEMBL891495 0.71 TP53 (0.67) ACHETP53TAAR1LMNAIDO1
M-Xylene SCHEMBL27840528 0.71 ACHE (0.52) ACHETP53TAAR1POLBIDO1
SCHEMBL102633 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309633-B2 Low temperature, cationically curable compositions with improved cure speed and toughness HENKEL IRELAND LTD. (IE) 2012-11-13 US disclosed
US-8188161-B1 Anaerobic cure systems for anaerobic curable compositions, and anaerobic curable compositions containing same HENKEL CORPORATION (US) 2012-05-29 US disclosed
US-8030401-B1 Photoinitiated cationic epoxy compositions HENKEL CORPORATION (US) 2011-10-04 US disclosed
US-7714037-B1 Photoinitiated cationic epoxy compositions and articles exhibiting low color HENKEL CORPORATION (US) 2010-05-11 US disclosed
US-7705064-B2 Photosensitive compounds, photopolymerizable compositions including the same, and methods of making and using the same HENKEL CORPORATION (US) 2010-04-27 US disclosed
US-20100016494-A1 LOW TEMPERATURE, CATIONICALLY CURABLE COMPOSITIONS WITH IMPROVED CURE SPEED AND TOUGHNESS HENKEL IRELAND LIMITED (IE) 2010-01-21 US disclosed
US-20090030106-A1 Photosensitive Compounds, Photopolymerizable Compositions Including the Same, and Methods of Making and Using the Same HENKEL CORPORATION (US) 2009-01-29 US disclosed
US-20070267134-A1 Photoinitiated Cationic Epoxy Compositions KONARSKI MARK M 2007-11-22 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-20090030106-A1 Photosensitive Compounds, Photopolymerizable Compositions Including the Same, and Methods of Making and Using the Same PHYKPL, AHCY, ALAD ACHE 1734/4885TP53 2675/4885TAAR1 3914/4885

“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.