SCHEMBL5033197

SCHEMBL5033197

CC(=O)CCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.77
FFAR4 Q5NUL3 5/20 0.77
ALDH1A1 P00352 1/20 0.68
MAOB P27338 1/20 0.64
ALOX5 P09917 1/20 0.60
PTGS1 P23219 1/20 0.60
PTGS2 P35354 1/20 0.60
AKR1B1 P15121 1/20 0.59
LTA4H P09960 1/20 0.59
EPHX2 P34913 1/20 0.59
NR4A1 P22736 1/20 0.58
NR4A2 P43354 1/20 0.58
NR4A3 Q92570 1/20 0.58
LTB4R Q15722 1/20 0.58
LTB4R2 Q9NPC1 1/20 0.58

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
SCHEMBL2959389 0.88 FFAR1 (0.68) FFAR1FFAR4MAOBALOX5PTGS1
SCHEMBL1744939 0.87 FFAR1 (1.00) FFAR1FFAR4AKR1B1
Benzyloxyphenylpropanoic Acid SCHEMBL1134648 0.87 FFAR1 (1.00) FFAR1FFAR4AKR1B1
SCHEMBL9627289 0.86 MAOB (0.68) FFAR1FFAR4MAOBNR4A2
SCHEMBL9627732 0.86 MAOB (0.68) FFAR1FFAR4MAOBEPHX2NR4A2
Benzyloxyphenylpropanoic Acid SCHEMBL30117578 0.85 FFAR1 (0.97) FFAR1FFAR4AKR1B1
SCHEMBL1747136 0.84 FFAR1 (0.72) FFAR1FFAR4MAOBAKR1B1LTA4H
SCHEMBL1745247 0.84 FFAR1 (0.72) FFAR1FFAR4MAOBAKR1B1LTA4H
SCHEMBL7951749 0.84 FFAR1 (0.56) FFAR1FFAR4ALDH1A1MAOBAKR1B1
SCHEMBL8010686 0.84 FFAR1 (0.72) FFAR1FFAR4ALDH1A1MAOBAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4460492-A1 COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE (INSERM) Institut National de la Santé et de la Recherche Médicale (FR) 2024-11-13 EP disclosed
CN-118221532-A Synthesis method of dobutamine hydrochloride 上海现代哈森(商丘)药业有限公司 2024-06-21 CN disclosed
WO-2023131677-A1 COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2023-07-13 WO disclosed
WO-2023131677-A1 COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2023-07-13 WO disclosed
WO-2023102507-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-08 WO disclosed
US-9469665-B2 Compound having lysophosphatidylserine receptor function modulation activity THE UNIVERSITY OF TOKYO (JP) 2016-10-18 US disclosed
US-20150361119-A1 COMPOUND HAVING LYSOPHOSPHATIDYLSERINE RECEPTOR FUNCTION MODULATION ACTIVITY TOHOKU UNIVERSITY (JP) 2015-12-17 US disclosed
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 US disclosed
WO-2008047382-A2 A PROCESS FOR THE PREPARATION OF 4-[2-[[3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]AMINO]ETHYL]-1,2-BENZENEDIOL SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2008-04-24 WO disclosed
WO-2008047382-A2 A PROCESS FOR THE PREPARATION OF 4-[2-[[3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]AMINO]ETHYL]-1,2-BENZENEDIOL SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2008-04-24 WO disclosed
EP-0167204-B1 METHOD FOR IMPROVING THE ABSORPTION AND EFFECTIVENESS OF A CATECHOLAMINE COMPOUND SIMES S.p.A. Società Italiana Medicinali e Sintetici (IT) 1989-09-27 EP disclosed
US-4849453-A ANIMAL GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1989-07-18 US disclosed
EP-0117647-B1 IMPROVEMENTS IN OR RELATING TO PHENETHANOLAMINES ELI LILLY AND COMPANY (US) 1988-08-17 EP disclosed
US-4734437-A PHENETHANOLAMINES ELI LILLY AND COMPANY (US) 1988-03-29 US disclosed
US-4690951-A B-PHENETHANGLAMINES; FEED EFFICIENCY AND LEANESS ELI LILLY AND COMPANY (US) 1987-09-01 US disclosed
US-4673671-A CONVERSION TO MONO O-PHOSPHATE ESTER SIMES SOCIETA ITALIANA MEDICINALI E SINTETICI S.P.A. (IT) 1987-06-16 US disclosed
EP-0204948-A1 Growth promotion of animals with phenethanol amines ELI LILLY AND COMPANY (US) 1986-12-17 EP disclosed
EP-0167204-A1 Method for improving the absorption and effectiveness of a catecholamine compound SIMES S.p.A. Società Italiana Medicinali e Sintetici (IT) 1986-01-08 EP disclosed
EP-0117647-A1 Improvements in or relating to phenethanolamines ELI LILLY AND COMPANY (US) 1984-09-05 EP disclosed
EP-0007205-A1 Optically active phenethanolamines, their formulations, use and preparation ELI LILLY AND COMPANY (US) 1980-01-23 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 (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-20150361119-A1 COMPOUND HAVING LYSOPHOSPHATIDYLSERINE RECEPTOR FUNCTION MODULATION ACTIVITY LPAR1, LPAR3, LPAR2 FFAR1 57/4885FFAR4 75/4885ALDH1A1 4724/4885
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AKR1C3, TPD52L2, HCCS FFAR1 1990/4885FFAR4 681/4885ALDH1A1 198/4885

“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.