SCHEMBL2833074

SCHEMBL2833074

Cc1ccc(N)c(C)c1C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
TSHR P16473 3/20 0.39
PIK3CA P42336 1/20 0.39
TDP1 Q9NUW8 3/20 0.37
ALDH1A1 P00352 5/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 1/20 0.33
HSD17B10 Q99714 2/20 0.31
POLB P06746 1/20 0.31
CD44 P16070 1/20 0.31
CASP1 P29466 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL33509 0.80 CYP3A4 (0.50) CYP3A4TSHRPIK3CATDP1ALDH1A1
Water SCHEMBL9259705 0.78 CYP3A4 (0.48) CYP3A4TSHRPIK3CATDP1ALDH1A1
Bromide SCHEMBL128888 0.78 CYP3A4 (0.48) CYP3A4TSHRPIK3CATDP1ALDH1A1
Bromide SCHEMBL11815034 0.78 CYP3A4 (0.48) CYP3A4TSHRPIK3CATDP1ALDH1A1
Iodide SCHEMBL1157672 0.78 CYP3A4 (0.48) CYP3A4TSHRPIK3CATDP1ALDH1A1
Hydrochloric Acid SCHEMBL553599 0.78 CYP3A4 (0.48) CYP3A4TSHRPIK3CATDP1ALDH1A1
Fluoride SCHEMBL1502751 0.78 CYP3A4 (0.48) CYP3A4TSHRPIK3CATDP1ALDH1A1
Water SCHEMBL35583 0.78 CYP3A4 (0.48) CYP3A4TSHRPIK3CATDP1ALDH1A1
SCHEMBL15346025 0.78 CYP3A4 (0.48) CYP3A4TSHRPIK3CATDP1ALDH1A1
Bromide SCHEMBL4593968 0.78 CYP3A4 (0.48) CYP3A4TSHRPIK3CATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2216349-B1 USE OF A PHENOL TYPE COMPOUND IN A DENTAL CHEMICAL POLYMERIZATION CATALYST WITH IMPROVED POLYMERIZING ACTIVITY TOKUYAMA DENTAL CORP (JP) 2023-09-20 EP disclosed
US-20230242681-A1 POLYMERIZATION INITIATOR, KIT FOR PREPARING CURABLE COMPOSITION, CURABLE COMPOSITION, CURED PRODUCT, AND DENTAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2023-08-03 US disclosed
EP-4166578-A1 POLYMERIZATION INITIATOR, KIT FOR PREPARING CURABLE COMPOSITION, CURABLE COMPOSITION, CURED PRODUCT, AND DENTAL MATERIAL Mitsui Chemicals, Inc. (JP) 2023-04-19 EP disclosed
US-20100304961-A1 DENTAL CHEMICAL POLYMERIZATION CATALYST AND DENTAL CURABLE COMPOSITION CONTAINING THE SAME CATALYST TOKUYAMA DENTAL CORPORATION (JP) 2010-12-02 US disclosed
EP-2216349-A1 CHEMICAL POLYMERIZATION CATALYST FOR DENTAL USE AND CURABLE DENTAL COMPOSITIONS CONTAINING THE CATALYST Tokuyama Dental Corporation (JP) 2010-08-11 EP disclosed
US-20090258966-A1 Dental Composition NIHON UNIVERSITY (JP) 2009-10-15 US disclosed
US-7084182-B2 Photopolymerization initiator TOKUYAMA CORPORATION (JP) 2006-08-01 US disclosed
EP-1457190-B1 Photopolymerization initiator TOKUYAMA CORP (JP) 2006-06-21 EP disclosed
US-20040180983-A1 Photopolymerization initiator TOKUYAMA DENTAL CORPORATION (JP) 2004-09-16 US disclosed
EP-1457190-A1 Photopolymerization initiator Tokuyama Corporation (JP) 2004-09-15 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-20090258966-A1 Dental Composition DCPS, MMAB, CAD CYP3A4 4770/4885TSHR 2993/4885PIK3CA 371/4885
US-20230242681-A1 POLYMERIZATION INITIATOR, KIT FOR PREPARING CURABLE COMPOSITION, CURABLE COMPOSITION, CURED PRODUCT, AND DENTAL MATERIAL KIT, SETDB1, NOD1 CYP3A4 3711/4885TSHR 4406/4885PIK3CA 964/4885

“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.