SCHEMBL123687

SCHEMBL123687

CCCCCCCCCCCC[N+](C)(C)CC.CCCCCCOc1ccc(C(=O)O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.76
TSHR P16473 1/20 0.76
PLA2G4B P0C869 8/20 0.74
RARB P10826 4/20 0.70
PLA2G4A P47712 1/20 0.67
PLA2G2A P14555 1/20 0.58
HTT P42858 1/20 0.58
MLNR O43193 1/20 0.56
NR1I2 O75469 1/20 0.56
ESR1 P03372 1/20 0.56
NR3C1 P04150 1/20 0.56
PGR P06401 1/20 0.56
ADRB2 P07550 1/20 0.56
CHRM2 P08172 1/20 0.56
ADRB1 P08588 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CHRM1 P11229 1/20 0.56
DRD2 P14416 1/20 0.56

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
SCHEMBL11135789 0.96 RARB (0.78) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL123686 0.88 TP53 (0.57) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL7470745 0.87 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL10777726 0.87 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL503367 0.87 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL1322922 0.87 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL503352 0.87 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL1469965 0.87 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL3625733 0.87 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL1163918 0.87 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A

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 796 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4748905-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2026-05-27 EP disclosed
CN-122095046-A Liquid crystal display device 2026-05-26 CN disclosed
US-12624290-B2 Method for reducing white flicker MERCK PATENT GMBH (DE) 2026-05-12 US disclosed
US-12618007-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2026-05-05 US disclosed
EP-4702104-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUND Merck Patent GmbH (DE) 2026-03-04 EP disclosed
EP-4428214-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2026-03-04 EP disclosed
EP-4428213-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2026-03-04 EP disclosed
US-12552991-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2026-02-17 US disclosed
EP-4680691-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2026-01-21 EP disclosed
US-12516245-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2026-01-06 US disclosed
US-4650600-A TEMPERATURE INDEPENDENT MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-03-17 US disclosed
US-4639328-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-01-27 US disclosed
US-4627933-A ESTERS, ETHERS, NITRICES, HALIDES, OR HYDROCARBONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-12-09 US disclosed
US-4622164-A LIQUID CRYSTAL DIELECTRICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-11-11 US disclosed
US-4606845-A DIELECTRICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-08-19 US disclosed
US-4600528-A Decalin-carbonitriles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-07-15 US disclosed
US-4572794-A Acetonitriles, their preparation, and dielectrics and electro-optical display elements containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-02-25 US disclosed
US-4537698-A DIELECTICS FOR ELECTROOPTICAL DISPLAY DEVICES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-08-27 US disclosed
US-4510069-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-04-09 US disclosed
US-4478740-A Benzonitriles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-23 US 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 (3 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-12552991-B2 Liquid-crystalline medium FES, VIM, INHA TP53 263/4885TSHR 221/4885PLA2G4B 2935/4885
US-12618007-B2 Liquid-crystalline medium SOST, NES, VIM TP53 891/4885TSHR 174/4885PLA2G4B 2038/4885
US-12624290-B2 Method for reducing white flicker HCN4, HCN2, HCN3 TP53 4522/4885TSHR 2060/4885PLA2G4B 2201/4885

“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.