SCHEMBL5078142

SCHEMBL5078142

O=C(O)CCCCC(=O)c1cc(F)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.53
CES1 P23141 3/20 0.53
DRD2 P14416 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ALDH1A1 P00352 1/20 0.41
KEAP1 Q14145 1/20 0.41
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL31661689 1.00 CES2 (0.53) CES2CES1DRD2NPC1RAB9A
SCHEMBL5084694 0.89 CES2 (0.57) CES2CES1DRD2NPC1RAB9A
SCHEMBL13588197 0.84 CES2 (0.55) CES2CES1DRD2NPC1RAB9A
SCHEMBL28289421 0.84 CES2 (0.55) CES2CES1DRD2NPC1RAB9A
SCHEMBL29127613 0.83 CES2 (0.53) CES2CES1DRD2NPC1RAB9A
SCHEMBL29406527 0.83 CES2 (0.53) CES2CES1DRD2NPC1RAB9A
SCHEMBL15037828 0.83 CES2 (0.53) CES2CES1DRD2NPC1RAB9A
SCHEMBL28062364 0.83 HTR7 (0.59) CES2CES1DRD2NPC1RAB9A
Hydrochloric Acid SCHEMBL28432740 0.83 CES2 (0.53) CES2CES1DRD2NPC1RAB9A
SCHEMBL3220179 0.81 ACKR3 (0.51) CES2CES1DRD2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170189443-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS PLATINUM MONTAUR LIFE SCIENCES, LLC AND AS AGENT (KY) 2017-07-06 US claimed
EP-3110427-A1 COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE Urigen Pharmaceuticals, Inc. (US) 2017-01-04 EP claimed
EP-1745004-B1 ARYL KETONE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2016-05-18 EP claimed
WO-2015127416-A1 COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE URIGEN PHARMACEUTICALS, INC. (US) 2015-08-27 WO claimed
US-9035085-B2 Aryl ketone compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2015-05-19 US claimed
US-20080167217-A1 aryl ketone compounds and compositions containing them which facilitate the delivery of active agents. The aryl ketone compounds have the formula** Image-1or a salt thereof, where n=1 to 9, and R1 to R5 are independently hydrogen, C1 to C4 alkyl, C1 to C4 alkoxy, C2 to C4 alkenyl, halogen, hydroxyl, EMISPHERE TECHNOLOGIES, INC. (US) 2008-07-10 US claimed
WO-2025151884-A1 USE OF GLYCOSAMINOGLYCAN SULFATED POLYSACCHARIDES SUCH AS SODIUM PENTOSAN POLYSULFATE IN COMBINATION WITH PERMEATION AGENTS TO TREAT ALZHEIMER'S DISEASE PARSONS C LOWELL (US) 2025-07-17 WO disclosed
US-20170189443-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS PLATINUM MONTAUR LIFE SCIENCES, LLC AND AS AGENT (KY) 2017-07-06 US disclosed
EP-3110427-A1 COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE Urigen Pharmaceuticals, Inc. (US) 2017-01-04 EP disclosed
EP-1745004-B1 ARYL KETONE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2016-05-18 EP disclosed
EP-1745004-B1 ARYL KETONE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2016-05-18 EP disclosed
WO-2015127416-A1 COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE URIGEN PHARMACEUTICALS, INC. (US) 2015-08-27 WO disclosed
US-9035085-B2 Aryl ketone compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
US-9035085-B2 Aryl ketone compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
US-20080167217-A1 aryl ketone compounds and compositions containing them which facilitate the delivery of active agents. The aryl ketone compounds have the formula** Image-1or a salt thereof, where n=1 to 9, and R1 to R5 are independently hydrogen, C1 to C4 alkyl, C1 to C4 alkoxy, C2 to C4 alkenyl, halogen, hydroxyl, EMISPHERE TECHNOLOGIES, INC. (US) 2008-07-10 US disclosed
US-20080167217-A1 aryl ketone compounds and compositions containing them which facilitate the delivery of active agents. The aryl ketone compounds have the formula** Image-1or a salt thereof, where n=1 to 9, and R1 to R5 are independently hydrogen, C1 to C4 alkyl, C1 to C4 alkoxy, C2 to C4 alkenyl, halogen, hydroxyl, EMISPHERE TECHNOLOGIES, INC. (US) 2008-07-10 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-20170189443-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS SI, SLC20A1, SLC20A2 CES2 3438/4885CES1 3038/4885DRD2 4451/4885
US-20080167217-A1 aryl ketone compounds and compositions containing them which facilitate the delivery of active agents. The aryl ketone compounds have the formula** Image-1or a salt thereof, where n=1 to 9, and R1 to R5 are independently hydrogen, C1 to C4 alkyl, C1 to C4 alkoxy, C2 to C4 alkenyl, halogen, hydroxyl, AKR1C3, AKR1C1, AKR1A1 CES2 537/4885CES1 85/4885DRD2 1585/4885

“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.