Stearic Acid

Stearic Acid

SCHEMBL3459529

CCCCCCCCCCCCCCCCCC(=O)[O-].C[N+](C)(C)CCO.Cl

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Stearic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 7/20 0.53
CA1 P00915 1/20 0.50
BBOX1 O75936 2/20 0.47
CES2 O00748 3/20 0.47
CES1 P23141 3/20 0.47

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
Decanoic Acid SCHEMBL5318916 1.00 FABP3 (0.53) FABP3CA1BBOX1CES2CES1
Palmitic Acid SCHEMBL5319014 1.00 FABP3 (0.53) FABP3CA1BBOX1CES2CES1
Dodecanoate SCHEMBL5320078 1.00 FABP3 (0.53) FABP3CA1BBOX1CES2CES1
Myristic Acid SCHEMBL5317289 1.00 FABP3 (0.53) FABP3CA1BBOX1CES2CES1
Stearic Acid SCHEMBL840883 0.98 FABP3 (0.55) FABP3CA1BBOX1CES2CES1
Decanoic Acid SCHEMBL580470 0.98 FABP3 (0.55) FABP3CA1BBOX1CES2CES1
Myristic Acid SCHEMBL8588822 0.98 FABP3 (0.55) FABP3CA1BBOX1CES2CES1
Octanoic Acid SCHEMBL2761867 0.98 FABP3 (0.55) FABP3CA1BBOX1CES2CES1
Nonanoate SCHEMBL29370695 0.98 FABP3 (0.55) FABP3CA1BBOX1CES2CES1
Dodecanoate SCHEMBL19253062 0.98 FABP3 (0.55) FABP3CA1BBOX1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005018631-A1 USE OF CHOLINE DERIVATIVES FOR MEMORY, LEARNING AND COGNITION PATEL HASMUKH (US) 2005-03-03 WO claimed
US-20050038116-A1 Novel class of compounds (Choline derivatives, esp. Stearyl Choline Cloride and other salts) for the treatment of Alzheimer's disease, Down syndrome and central (and/or peripheral) nervous system and memory related disorders or for enhancements PATEL HASMUKH B (US) 2005-02-17 US claimed
US-7803842-B2 Choline esters useful for the treatment of cognitive dysfunctions and enhancement of memory, learning and cognition Patel, Hass (US) 2010-09-28 US 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
US-20060205815-A1 Choline esters useful for the treatment of cognitive dysfunctions and enhancement of memory, learning and cognition PATEL HASMUKH B 2006-09-14 US disclosed
EP-1660434-A1 CHOLINE ESTERS USEFUL FOR THE TREATMENT OF COGNITIVE DYSFUNCTIONS AND ENHANCEMENT OF MEMORY, LEARNING AND COGNITION PATEL, Hasmukh B. (US) 2006-05-31 EP disclosed
WO-2005018631-A1 USE OF CHOLINE DERIVATIVES FOR MEMORY, LEARNING AND COGNITION PATEL HASMUKH (US) 2005-03-03 WO disclosed
WO-2005019157-A1 CHOLINE ESTERS USEFUL FOR THE TREATMENT OF COGNITIVE DYSFUNCTIONS AND ENHANCEMENT OF MEMORY, LEARNING AND COGNITION PATEL HASMUKH B (US) 2005-03-03 WO 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-20060205815-A1 Choline esters useful for the treatment of cognitive dysfunctions and enhancement of memory, learning and cognition CHAT, SGMS1, SPTLC1 FABP3 1529/4885CA1 262/4885BBOX1 1319/4885
US-20070154546-A1 Sustained release pharmaceutical compositions PLA2G2C, PLTP, F12 FABP3 510/4885CA1 221/4885BBOX1 4512/4885
US-20050038116-A1 Novel class of compounds (Choline derivatives, esp. Stearyl Choline Cloride and other salts) for the treatment of Alzheimer's disease, Down syndrome and central (and/or peripheral) nervous system and memory related disorders or for enhancements CHAT, SGMS1, SPTLC3 FABP3 1375/4885CA1 484/4885BBOX1 3468/4885

“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.