SCHEMBL19458202

SCHEMBL19458202

CCc1cc[n+](C)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
TRPA1 O75762 1/20 0.37
CYP2A6 P11509 2/20 0.35
CYP1A2 P05177 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 3/20 0.31
MAPK1 P28482 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 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
SCHEMBL19458197 0.77 TP53 (0.39) TP53TRPA1CYP2A6CYP1A2TAAR1
SCHEMBL19458161 0.76 TP53 (0.37) TP53TRPA1CYP2A6CYP1A2TAAR1
SCHEMBL12161712 0.76 CYP2A6 (0.39) TP53TRPA1CYP2A6CYP1A2TAAR1
SCHEMBL2297527 0.70
SCHEMBL6033654 0.70 QDPR (0.37) SMN1; SMN2L3MBTL1MAPTTDP1KDM4E
SCHEMBL25446014 0.70 NPC1 (0.39) TP53CYP2A6CYP1A2NPC1RAB9A
SCHEMBL5301567 0.69
Iodide SCHEMBL989753 0.69 ACHE (0.35) TP53CYP2A6CYP1A2NOS3NOS1
Hydrochloric Acid SCHEMBL7256347 0.69 ACHE (0.35) TP53CYP2A6CYP1A2NOS3NOS1
Iodide SCHEMBL7436469 0.67 TP53 (0.48) TP53CYP2A6TAAR1LPLLIPG

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-20240023427-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2024-01-18 US disclosed
EP-3232455-B1 NONAQUEOUS ELECTROLYTE SOLUTION FOR ELECTRIC DOUBLE LAYER CAPACITORS OTSUKA CHEMICAL CO LTD (JP) 2023-10-25 EP disclosed
US-20230276690-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-08-31 US disclosed
US-10914987-B2 Complex and optical element KYOTO UNIVERSITY (JP) 2021-02-09 US disclosed
US-20200241336-A1 COMPLEX AND OPTICAL ELEMENT KYOTO UNIVERSITY (JP) 2020-07-30 US disclosed
US-10593488-B2 Nonaqueous electrolytic solution for electric double layer capacitors OTSUKA CHEMICAL CO., LTD. (JP) 2020-03-17 US disclosed
US-20170330700-A1 NONAQUEOUS ELECTROLYTIC SOLUTION FOR ELECTRIC DOUBLE LAYER CAPACITORS OTSUKA CHEMICAL CO., LTD. (JP) 2017-11-16 US disclosed
EP-3232455-A1 NONAQUEOUS ELECTROLYTE SOLUTION FOR ELECTRIC DOUBLE LAYER CAPACITORS Otsuka Chemical Co., Ltd. (JP) 2017-10-18 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-20230276690-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME L1CAM, TELO2, LIMS1 TP53 3452/4885TRPA1 722/4885CYP2A6 4351/4885
US-20240023427-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CCNL2, AHR, ARNT TP53 4515/4885TRPA1 56/4885CYP2A6 328/4885

“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.