SCHEMBL21135536

SCHEMBL21135536

CCn1c2ccccc2c2ccc(C(C)=O)cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
HPGD P15428 5/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MAPT P10636 9/20 0.57
KDM4E B2RXH2 8/20 0.57
LMNA P02545 5/20 0.57
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 2/20 0.52
MAPK1 P28482 2/20 0.52
NPY5R Q15761 3/20 0.51
RECQL P46063 1/20 0.50
HTT P42858 1/20 0.50
HBB P68871 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM1 P11229 1/20 0.49

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
SCHEMBL29808829 1.00 ALDH1A1 (0.59) ALDH1A1HPGDNPSR1MAPTKDM4E
SCHEMBL5662028 0.91 HPGD (0.72) ALDH1A1HPGDNPSR1MAPTKDM4E
SCHEMBL27722947 0.88 ALDH1A1 (0.65) ALDH1A1HPGDNPSR1MAPTKDM4E
SCHEMBL28007695 0.85 CNR2 (0.60) ALDH1A1HPGD
SCHEMBL27604713 0.85 ALDH1A1 (0.65) ALDH1A1HPGDNPSR1MAPTKDM4E
SCHEMBL7457374 0.85 CNR2 (0.62) ALDH1A1HPGDNPSR1MAPTKDM4E
SCHEMBL12903873 0.84 KDM4E (0.57) ALDH1A1HPGDNPSR1MAPTKDM4E
SCHEMBL10824846 0.84 ALDH1A1 (0.56) ALDH1A1HPGDNPSR1MAPTKDM4E
SCHEMBL8388868 0.84 CYP19A1 (0.60) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL14292119 0.84 ALDH1A1 (0.56) ALDH1A1HPGD

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 5 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-20210120193-A1 IMAGE GENERATION FOR DETECTION AND RELATED METHODS C2Sense, Inc. (US) 2021-04-22 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 ALDH1A1 3153/4885HPGD 2958/4885NPSR1 1746/4885
US-20190218199-A1 NOVEL CATIONIC PHOTOINITIATOR AND PREPARATION METHOD AND USE THEREOF SLC11A2, SLC7A1, PPOX ALDH1A1 2798/4885HPGD 2839/4885NPSR1 1760/4885

“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.