SCHEMBL21135534

SCHEMBL21135534

CCC1(CC)c2ccccc2-c2ccc(C(=O)OC)cc21

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 14/20 0.61
EGFR P00533 1/20 0.43
TSHR P16473 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
PTGS2 P35354 1/20 0.41
ALOX5 P09917 1/20 0.41

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
SCHEMBL4918215 0.89 PDK2 (0.61) PDK2EGFRTSHRCA12CA1
SCHEMBL18012748 0.84 PDK2 (0.58) PDK2
SCHEMBL4912255 0.82 PDK2 (0.55) PDK2ALOX5
SCHEMBL30617326 0.82 PDK2 (0.44) PDK2
SCHEMBL18012749 0.82 PDK2 (0.44) PDK2
SCHEMBL18012740 0.82 PDK2 (0.44) PDK2
SCHEMBL4910149 0.81 PDK2 (0.59) PDK2EGFRTSHRCA12CA1
SCHEMBL23614160 0.80 PDK2 (0.42) PDK2
SCHEMBL4910213 0.79 PDK2 (0.68) PDK2EGFRTSHRCA12CA1
SCHEMBL4914219 0.78 PDK2 (0.63) PDK2EGFRTSHRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PDK2 1523/4885EGFR 3957/4885TSHR 2445/4885
US-20190218199-A1 NOVEL CATIONIC PHOTOINITIATOR AND PREPARATION METHOD AND USE THEREOF SLC11A2, SLC7A1, PPOX PDK2 1368/4885EGFR 4114/4885TSHR 2527/4885

“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.