SCHEMBL123686

SCHEMBL123686

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
PLA2G4B P0C869 6/20 0.56
RARB P10826 3/20 0.53
MLNR O43193 1/20 0.51
NR1I2 O75469 1/20 0.51
ESR1 P03372 1/20 0.51
NR3C1 P04150 1/20 0.51
PGR P06401 1/20 0.51
ADRB2 P07550 1/20 0.51
CHRM2 P08172 1/20 0.51
ADRB1 P08588 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CHRM1 P11229 1/20 0.51
DRD2 P14416 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
CHRM3 P20309 1/20 0.51

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
Cetrimonium SCHEMBL22396363 0.89 TP53 (0.60) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL123687 0.88 TP53 (0.76) TP53TSHRPLA2G4BRARBMLNR
SCHEMBL26983159 0.86 TP53 (0.71) TP53TSHRPLA2G4BRARBPLA2G4A
Silver SCHEMBL9664694 0.86 TP53 (0.71) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL28544196 0.86 TP53 (0.71) TP53TSHRPLA2G4BRARBPLA2G4A
Silver SCHEMBL11321084 0.86 TP53 (0.71) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL11135789 0.85 RARB (0.78) TP53TSHRPLA2G4BRARBPLA2G4A
Silver SCHEMBL11423363 0.82 RARB (0.73) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL11052789 0.81 TP53 (0.62) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL7546522 0.81 THRA (0.51) RARBALDH1A1THRATHRB

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 1198 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-122080952-A Liquid-crystalline medium 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-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
EP-4702104-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUND 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
EP-0126949-A2 Fluorine-containing pyrimidine derivatives MERCK PATENT GmbH (DE) 1984-12-05 EP disclosed
EP-0125563-A2 Bicyclohexyl ethanes MERCK PATENT GmbH (DE) 1984-11-21 EP disclosed
US-4478740-A Benzonitriles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-23 US disclosed
EP-0117476-A1 Tetrahydropyranes MERCK PATENT GmbH (DE) 1984-09-05 EP disclosed
EP-0107759-A2 Cyclohexane derivatives and their use as components for liquid crystals MERCK PATENT GmbH (DE) 1984-05-09 EP disclosed
EP-0104327-A2 Use of cyclic derivatives as components of liquid cristals MERCK PATENT GmbH (DE) 1984-04-04 EP disclosed
EP-0095626-A2 Piperidine derivatives MERCK PATENT GmbH (DE) 1983-12-07 EP disclosed
EP-0094487-A1 Hydroterphenyls, their preparation and their use in dielectric liquid crystal material MERCK PATENT GmbH (DE) 1983-11-23 EP disclosed
EP-0087056-A1 Benzonitriles MERCK PATENT GmbH (DE) 1983-08-31 EP disclosed
US-3953491-A ELECTROOPTICS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DT) 1976-04-27 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.