SCHEMBL1165489

SCHEMBL1165489

CCCCCC(=O)C(O)O

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.60
CES1 P23141 4/20 0.55
FFAR4 Q5NUL3 1/20 0.54
FFAR1 O14842 1/20 0.54
AKR1B1 P15121 1/20 0.52

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
SCHEMBL1080623 0.97 CES2 (0.64) CES2CES1FFAR4FFAR1
SCHEMBL10507922 0.97 CES2 (0.64) CES2CES1FFAR4FFAR1
SCHEMBL1712783 0.97 CES2 (0.64) CES2CES1FFAR4FFAR1
SCHEMBL5311779 0.97 CES2 (0.64) CES2CES1FFAR4FFAR1
SCHEMBL5307291 0.97 CES2 (0.64) CES2CES1FFAR4FFAR1
SCHEMBL5311427 0.97 CES2 (0.64) CES2CES1FFAR4FFAR1
SCHEMBL3126476 0.92
Phosphoric Acid SCHEMBL2936662 0.89 CES2 (0.55) CES2FFAR4FFAR1
Phosphoric Acid SCHEMBL11141469 0.89 CES2 (0.55) CES2FFAR4FFAR1
SCHEMBL4856778 0.84 CES2 (0.60) CES2CES1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986087-A Method for preparing 1, 3-propylene glycol and by-producing 4-hetero-oxo-heptanediol 江苏扬农化工集团有限公司 2024-05-07 CN claimed
CN-117362152-A Preparation method and product of 1, 3-propylene glycol 江苏扬农化工集团有限公司 2024-01-09 CN claimed
CN-114249633-B Method for separating and purifying 1, 3-propylene glycol 江苏扬农化工集团有限公司 2023-10-27 CN claimed
CN-114276216-B Method for removing aldehyde impurities in 1, 3-propylene glycol 江苏扬农化工集团有限公司 2023-08-01 CN claimed
CN-118702542-A Preparation method of1, 3-propanediol 江苏扬农化工集团有限公司 2024-09-27 CN disclosed
CN-117986087-A Method for preparing 1, 3-propylene glycol and by-producing 4-hetero-oxo-heptanediol 江苏扬农化工集团有限公司 2024-05-07 CN disclosed
CN-117986087-A Method for preparing 1, 3-propylene glycol and by-producing 4-hetero-oxo-heptanediol 江苏扬农化工集团有限公司 2024-05-07 CN disclosed
CN-117986087-A Method for preparing 1, 3-propylene glycol and by-producing 4-hetero-oxo-heptanediol 江苏扬农化工集团有限公司 2024-05-07 CN disclosed
CN-117362152-A Preparation method and product of 1, 3-propylene glycol 江苏扬农化工集团有限公司 2024-01-09 CN disclosed
CN-114249633-B Method for separating and purifying 1, 3-propylene glycol 江苏扬农化工集团有限公司 2023-10-27 CN disclosed
CN-114276216-B Method for removing aldehyde impurities in 1, 3-propylene glycol 江苏扬农化工集团有限公司 2023-08-01 CN disclosed
US-20120190694-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS ALLERGAN, INC. (US) 2012-07-26 US disclosed
EP-2464629-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Allergan, Inc. (US) 2012-06-20 EP disclosed
US-8168795-B2 Selective sphingosine-1-phosphate receptor antagonists ALLERGAN, INC. (US) 2012-05-01 US disclosed
WO-2011028927-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS ALLERGAN, INC. (US) 2011-03-10 WO disclosed
WO-2011019681-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS ALLERGAN, INC. (US) 2011-02-17 WO disclosed
US-20110039866-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS ALLERGAN, INC. (US) 2011-02-17 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 (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-20120190694-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS S1PR3, S1PR1, S1PR2 CES2 3873/4885CES1 1465/4885FFAR4 45/4885
US-20110039866-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS S1PR3, S1PR1, S1PR2 CES2 3873/4885CES1 1465/4885FFAR4 45/4885

“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.