SCHEMBL5319042

SCHEMBL5319042

CCCCCCCCCC(=O)C(O)C[N+](C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 2/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.47
GMNN O75496 1/20 0.47
LMNA P02545 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPT P10636 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
CYP2C9 P11712 1/20 0.47
HIF1A Q16665 1/20 0.47
CYP2D6 P10635 1/20 0.46

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
SCHEMBL9632303 1.00 CES2 (0.52) CES2MAPK1CYP1A2TP53TSHR
SCHEMBL200399 1.00 CES2 (0.52) CES2MAPK1CYP1A2TP53TSHR
SCHEMBL198090 1.00 CES2 (0.52) CES2MAPK1CYP1A2TP53TSHR
SCHEMBL5317333 1.00 CES2 (0.52) CES2MAPK1CYP1A2TP53TSHR
SCHEMBL200766 1.00 CES2 (0.52) CES2MAPK1CYP1A2TP53TSHR
Iodide SCHEMBL9630545 0.98 CES2 (0.50) CES2MAPK1CYP1A2TP53TSHR
Hydrochloric Acid SCHEMBL7561213 0.98 CES2 (0.50) CES2MAPK1CYP1A2TP53TSHR
Hydrochloric Acid SCHEMBL16990768 0.98 CES2 (0.50) CES2MAPK1CYP1A2TP53TSHR
Hydrochloric Acid SCHEMBL9632302 0.98 CES2 (0.50) CES2MAPK1CYP1A2TP53TSHR
Iodide SCHEMBL9630733 0.98 CES2 (0.50) CES2MAPK1CYP1A2TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0206947-B1 PHARMACEUTICAL COMPOSITION CONTAINING CHOLINE ESTER SALTS FOR ENHANCING GASTROINTESTINAL TRACT ABSORPTION MERCK & CO. INC. (US) 1992-04-15 EP claimed
EP-0214898-B1 CHOLINE ESTERS AS ABSORPTION-ENHANCING AGENTS FOR DRUG DELIVERY THROUGH MUCOUS MEMBRANES OF THE NASAL, BUCCAL, SUBLINGUAL AND VAGINAL CAVITIES MERCK & CO. INC. (US) 1992-03-11 EP claimed
US-4973579-A VIRICIDES MERCK & CO., INC. (US) 1990-11-27 US claimed
US-4963556-A ANTIVIRAL AGENTS MERCK & CO., INC. (US) 1990-10-16 US claimed
US-4835138-A Choline esters as absorption-enhancing agents for drug delivery through mucous membranes of the nasal, buccal, sublingual and vaginal cavities MERCK & CO., INC. (US) 1989-05-30 US claimed
US-4822773-A Enhancement of absorption of drugs from gastrointestinal tract using choline ester salts MERCK & CO., INC. (US) 1989-04-18 US claimed
US-4729989-A Enhancement of absorption of drugs from gastrointestinal tract using choline ester salts MERCK & CO., INC. (US) 1988-03-08 US claimed
US-4692441-A B-LACTAM ANTIBIOTICS MERCK & CO., INC. (US) 1987-09-08 US claimed
EP-0214898-A2 Choline esters as absorption-enhancing agents for drug delivery through mucous membranes of the nasal, buccal, sublingual and vaginal cavities MERCK & CO. INC. (US) 1987-03-18 EP claimed
EP-0206947-A2 Pharmaceutical composition containing choline ester salts for enhancing gastrointestinal tract absorption MERCK & CO. INC. (US) 1986-12-30 EP claimed
CN-108698027-B Sulfur-containing dinuclear quaternary ammonium molybdates as lubricant additives 范德比尔特化学品有限责任公司 2022-02-25 CN disclosed
WO-2007079252-A2 SUSTAINED RELEASE PHARMACEUTICAL COMPOSITIONS AMPHASTAR PHARMACEUTICALS, INC. (US) 2007-07-12 WO disclosed
US-20070154546-A1 Sustained release pharmaceutical compositions INTERNATIONAL MEDICATION SYSTEMS, LIMITED 2007-07-05 US disclosed
EP-0206947-B1 PHARMACEUTICAL COMPOSITION CONTAINING CHOLINE ESTER SALTS FOR ENHANCING GASTROINTESTINAL TRACT ABSORPTION MERCK & CO. INC. (US) 1992-04-15 EP disclosed
EP-0214898-B1 CHOLINE ESTERS AS ABSORPTION-ENHANCING AGENTS FOR DRUG DELIVERY THROUGH MUCOUS MEMBRANES OF THE NASAL, BUCCAL, SUBLINGUAL AND VAGINAL CAVITIES MERCK & CO. INC. (US) 1992-03-11 EP disclosed
US-4822773-A Enhancement of absorption of drugs from gastrointestinal tract using choline ester salts MERCK & CO., INC. (US) 1989-04-18 US disclosed
US-4729989-A Enhancement of absorption of drugs from gastrointestinal tract using choline ester salts MERCK & CO., INC. (US) 1988-03-08 US disclosed
US-4692441-A B-LACTAM ANTIBIOTICS MERCK & CO., INC. (US) 1987-09-08 US disclosed
EP-0214898-A2 Choline esters as absorption-enhancing agents for drug delivery through mucous membranes of the nasal, buccal, sublingual and vaginal cavities MERCK & CO. INC. (US) 1987-03-18 EP disclosed
EP-0206947-A2 Pharmaceutical composition containing choline ester salts for enhancing gastrointestinal tract absorption MERCK & CO. INC. (US) 1986-12-30 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 (1 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-20070154546-A1 Sustained release pharmaceutical compositions PLA2G2C, PLTP, F12 CES2 606/4885MAPK1 3065/4885CYP1A2 2153/4885

“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.