SCHEMBL142722

SCHEMBL142722

CCCC([C]=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.42
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
LMNA P02545 1/20 0.39
HRH1 P35367 5/20 0.38
HTR2A P28223 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
MIF P14174 1/20 0.36
MME P08473 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL28799952 1.00 AOC3 (0.42) AOC3MTNR1AMTNR1BLMNAHRH1
SCHEMBL143657 0.88 POLB (0.45) MTNR1AMTNR1BHRH1HTR2APOLB
SCHEMBL6723122 0.86 NAAA (0.41) HRH1HTR2APOLBSIGMAR1
SCHEMBL6723008 0.85 NAAA (0.43) HTR2APOLBSIGMAR1
SCHEMBL7458136 0.85 NAAA (0.43) HTR2APOLBSIGMAR1
SCHEMBL6719347 0.85 NAAA (0.43) HTR2APOLBSIGMAR1
SCHEMBL7452348 0.85 NAAA (0.43) HTR2APOLBSIGMAR1
SCHEMBL7455004 0.85 NAAA (0.43) HTR2APOLBSIGMAR1
SCHEMBL7454063 0.85 NAAA (0.43) HTR2APOLBSIGMAR1
SCHEMBL7454537 0.85 NAAA (0.43) HTR2APOLBSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116063666-B Multifunctional polyester material and preparation method and application thereof 四川大学 2024-04-19 CN claimed
CN-116063666-A Multifunctional polyester material and preparation method and application thereof 四川大学 2023-05-05 CN claimed
CN-113444005-A Method for synthesizing novel glutaric acid compound from diaryl substituted non-activated olefin 四川大学 2021-09-28 CN claimed
EP-2411004-A1 USE OF ANDROGRAPHOLIDE COMPOUNDS FOR TREATING INFLAMMATION AND AIRWAY DISORDERS National University of Singapore (SG) 2012-02-01 EP claimed
US-20120015923-A1 USE OF ANDROGRAPHOLIDE COMPOUNDS FOR TREATING INFLAMMATION AND AIRWAY DISORDERS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-01-19 US claimed
WO-2010110748-A1 USE OF ANDROGRAPHOLIDE COMPOUNDS FOR TREATING INFLAMMATION AND AIRWAY DISORDERS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2010-09-30 WO claimed
US-7375081-B2 Therapeutic combination of a pneumocandin derivative and an antifungal agent ASTELLAS PHARMA INC. (JP) 2008-05-20 US claimed
US-6875740-B1 Combination of a cyclic hexapeptide with antifungal drugs for treatment of fungal pathogens FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-05 US claimed
US-6750332-B1 HAVE VALUABLE COSMETICALLY AND PHARMACEUTICALLY USEFUL PROPERTIES, SUCH AS PROSTAGLANDIN SYNTHESIS INHIBITION; SALICIN ESTERS COGNIS DEUTSCHLAND GMBH & CO. KG (DE) 2004-06-15 US claimed
US-4396613-A DEMYCINOSYLTYLOSIN, ANTIBIOTICS ELI LILLY AND COMPANY (US) 1983-08-02 US claimed
CN-116063666-B Multifunctional polyester material and preparation method and application thereof 四川大学 2024-04-19 CN disclosed
US-20240084308-A1 FIBROTIC TREATMENT MONASH UNIVERSITY (AU) 2024-03-14 US disclosed
US-20240034845-A1 POLYMER PARTICLES QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2024-02-01 US disclosed
EP-3384549-B1 SODIUM-ION ELECTROLYTE COMPOSITION UNIV DEAKIN (AU) 2024-01-17 EP disclosed
US-11834663-B2 Fibrotic treatment MONASH UNIVERSITY (AU) 2023-12-05 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 US disclosed
US-4088537-A BIOTRANSFORMATION THE UPJOHN COMPANY (US) 1978-05-09 US disclosed
US-4041055-A SULFENYLATION, MICHAEL ADDITION, REACTION WITH THIOPHILE, HYDROLYSIS THE UPJOHN COMPANY (US) 1977-08-09 US disclosed
US-4008228-A Process for preparing 3-methyl-3-cephem antibiotics ELI LILLY AND COMPANY (US) 1977-02-15 US disclosed
US-3933806-A Cephalosporin michael adducts ELI LILLY AND COMPANY (US) 1976-01-20 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 (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-20120015923-A1 USE OF ANDROGRAPHOLIDE COMPOUNDS FOR TREATING INFLAMMATION AND AIRWAY DISORDERS NFKBIA, CCL11, IL5 AOC3 2006/4885MTNR1A 856/4885MTNR1B 448/4885
US-11834663-B2 Fibrotic treatment MMP1, ENPEP, RNPEP AOC3 1772/4885MTNR1A 1398/4885MTNR1B 1272/4885
US-20240084308-A1 FIBROTIC TREATMENT MMP1, ENPEP, RNPEP AOC3 1772/4885MTNR1A 1398/4885MTNR1B 1272/4885

“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.