SCHEMBL6683467

SCHEMBL6683467

CCC(O)c1cccc(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
SLC18A3 Q16572 3/20 0.43
SIGMAR1 Q99720 3/20 0.43
SLC6A3 Q01959 4/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
KCNH2 Q12809 1/20 0.42
HIF1A Q16665 2/20 0.42
GALR3 O60755 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRB3 P13945 1/20 0.41
TSHR P16473 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41

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
SCHEMBL31138108 1.00 LMNA (0.57) LMNASLC18A3SIGMAR1SLC6A3CYP3A4
SCHEMBL11595350 0.85 LMNA (0.70) LMNASLC6A3HIF1AGALR3ADRB2
SCHEMBL6685361 0.85 SLC18A3 (0.43) LMNASLC18A3SIGMAR1SLC6A3CYP3A4
SCHEMBL2893002 0.83 SLC18A3 (0.46) LMNASLC18A3SIGMAR1SLC6A3CYP3A4
SCHEMBL2754733 0.83 SLC18A3 (0.46) LMNASLC18A3SIGMAR1SLC6A3CYP3A4
SCHEMBL4839441 0.83 ALDH1A1 (0.42) LMNASLC18A3SIGMAR1SLC6A3CYP3A4
SCHEMBL8257633 0.82 SLC18A3 (0.44) LMNASLC18A3SIGMAR1SLC6A3CYP3A4
SCHEMBL17660051 0.82 SLC18A3 (0.44) LMNASLC18A3SIGMAR1SLC6A3CYP3A4
SCHEMBL30153478 0.82 SLC18A3 (0.44) LMNASLC18A3SIGMAR1SLC6A3CYP3A4
SCHEMBL5831467 0.82 SLC18A3 (0.44) LMNASLC18A3SIGMAR1SLC6A3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000037425-A1 METHOD FOR PRODUCING FLUOXETIN SIEGFRIED CMS AG (CH) 2000-06-29 WO claimed
CN-115209883-B Novel cell metabolism regulating compound and use thereof 新月生物科学 2025-05-20 CN disclosed
US-20230183179-A1 NOVEL CELL METABOLISM MODULATING COMPOUNDS AND USES THEREOF CRESCENTA BIOSCIENCES (US) 2023-06-15 US disclosed
US-20230183179-A1 NOVEL CELL METABOLISM MODULATING COMPOUNDS AND USES THEREOF CRESCENTA BIOSCIENCES (US) 2023-06-15 US disclosed
EP-4093384-A1 NOVEL CELL METABOLISM MODULATING COMPOUNDS AND USES THEREOF Crescenta Biosciences (US) 2022-11-30 EP disclosed
CN-115209883-A Novel cell metabolism-regulating compounds and uses thereof 新月生物科学 2022-10-18 CN disclosed
US-11377425-B1 Small molecule modulators of IL-17 LEO PHARMA A/S (DK) 2022-07-05 US disclosed
US-11377425-B1 Small molecule modulators of IL-17 LEO PHARMA A/S (DK) 2022-07-05 US disclosed
WO-2021150645-A1 NOVEL CELL METABOLISM MODULATING COMPOUNDS AND USES THEREOF CRESCENTA BIOSCIENCES (US) 2021-07-29 WO disclosed
WO-2020127685-A1 AMINO-ACID ANILIDES AS SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2020-06-25 WO disclosed
WO-2001060786-A1 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
EP-0682663-B1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS UPJOHN CO (US) 2001-04-18 EP disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
US-5686486-A 4-hydroxy-benzopyran-2-ones and 4-hydroxy-cycloalkyl b!pyran-2-ones useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 US disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
CN-1117291-A 4-Hydroxy-pyran-2-one derivatives for the treatment of retroviral infections UPJOHN CO (US) 1996-02-21 CN disclosed
EP-0682663-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-22 EP disclosed
WO-1994018188-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL[B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS THE UPJOHN COMPANY (US) 1994-08-18 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 (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-11377425-B1 Small molecule modulators of IL-17 IL17A, IL15, IL2 LMNA 3720/4885SLC18A3 3215/4885SIGMAR1 4601/4885
US-20230183179-A1 NOVEL CELL METABOLISM MODULATING COMPOUNDS AND USES THEREOF FABP4, FABP1, FABP3 LMNA 3697/4885SLC18A3 1471/4885SIGMAR1 4223/4885

“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.