SCHEMBL21135533

SCHEMBL21135533

c1ccc(Sc2ccc3sc4ccccc4c3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.54
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
PTPN7 P35236 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN12 Q05209 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
KDM4E B2RXH2 1/20 0.40
EDNRA P25101 1/20 0.38
ALOX5 P09917 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL20372684 0.90 GPR3 (0.47) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL15836071 0.87 GPR3 (0.52) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL29363890 0.86 KDM4E (0.58) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL18636119 0.86 KDM4E (0.58) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL1128376 0.86 KDM4E (0.58) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL31012433 0.86 KDM4E (0.58) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL16709677 0.83 GPR3 (0.44) GPR3MAPTALDH1A1HPGDRAB9A
Dibenzothiophene SCHEMBL9160414 0.83 GPR3 (0.52) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL21300699 0.81 KDM4E (0.62) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL28018269 0.81 GPR3 (0.54) GPR3MAPTALDH1A1HPGDRAB9A

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
EP-3498691-B1 NOVEL CATIONIC PHOTOINITIATOR, AND PREPARATION METHOD THEREFOR AND APPLICATIONS THEREOF CHANGZHOU TRONLY NEW ELECTRONIC MAT CO LTD (CN) 2021-07-07 EP disclosed
US-10995082-B2 Cationic photoinitiator and preparation method and use thereof CHANGZHOU TRONLY NEW ELECTRONIC MATERIALS CO., LTD. (CN) 2021-05-04 US disclosed
US-20190218199-A1 NOVEL CATIONIC PHOTOINITIATOR AND PREPARATION METHOD AND USE THEREOF CHANGZHOU TRONLY ADVANCED ELECTRONIC MATERIALS CO., LTD. (CN) 2019-07-18 US disclosed
EP-3498691-A1 NOVEL CATIONIC PHOTOINITIATOR, AND PREPARATION METHOD THEREFOR AND APPLICATIONS THEREOF Changzhou Tronly New Electronic Materials Co., Ltd (CN) 2019-06-19 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 (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-10995082-B2 Cationic photoinitiator and preparation method and use thereof SLC11A2, SLC7A1, PPOX GPR3 2968/4885MAPT 1573/4885ALDH1A1 3153/4885
US-20190218199-A1 NOVEL CATIONIC PHOTOINITIATOR AND PREPARATION METHOD AND USE THEREOF SLC11A2, SLC7A1, PPOX GPR3 3180/4885MAPT 1723/4885ALDH1A1 2798/4885

“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.