SCHEMBL284756

SCHEMBL284756

CCC(CCCCBr)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.65
MAPK1 P28482 1/20 0.65
CHRM1 P11229 1/20 0.44
AKR1A1 P14550 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC1A2 P43004 3/20 0.44
SLC1A1 P43005 3/20 0.44
GRIK1 P39086 2/20 0.44
GRIK2 Q13002 2/20 0.44
CA1 P00915 4/20 0.42
SLC1A3 P43003 2/20 0.42

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
SCHEMBL23071374 0.98 CA2 (0.63) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL361940 0.98 CA2 (0.63) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL1798885 0.98 CA2 (0.63) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL8663246 0.98 CA2 (0.63) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL1554383 0.93 CA2 (0.68) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL10897254 0.89 CA2 (0.81) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL14359878 0.86 CA2 (0.77) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL27901184 0.86 CA2 (0.77) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL14360381 0.86 CA2 (0.77) CA2MAPK1CHRM1AKR1A1CHRM3
Ammonia Solution, Strong SCHEMBL28267146 0.86 CA2 (0.77) CA2MAPK1CHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919909-B1 SYNTHETIC METHODS AND INTERMEDIATES FOR STEREOISOMERIC COMPOUNDS USEFUL FOR THE TREATMENT OF GASTROINTESTINAL AND CENTRAL NERVOUS SYSTEM DISORDERS ARMETHEON INC (US) 2013-08-21 EP claimed
US-7408075-B1 Synthesis of phosphocholine ester derivatives and conjugates thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-08-05 US claimed
US-20080175852-A1 SYNTHESIS OF PHOSPHOCHOLINE ESTER DERIVATIVES AND CONJUGATES THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2008-07-24 US claimed
US-20250215494-A1 TRICYCLIC POLYMETHINE DYES FOR NUCLEIC ACID SEQUENCING ILLUMINA, INC. 2025-07-03 US disclosed
US-11578040-B2 [5]Helicene derivatives as molecular reporters for diagnostic applications and methods of synthesis therefor NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY (TH) 2023-02-14 US disclosed
US-11420934-B2 PPAR agonists THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2022-08-23 US disclosed
US-11130779-B2 PPAR agonists and methods of use thereof THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2021-09-28 US disclosed
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed
EP-2970154-B1 TETRAHYDROXAMATE CHELATORS OF ZIRCONIUM89 AND NIOBIUM90 FOR USE IN DIAGNOSTIC APPLICATIONS US HEALTH (US) 2021-07-07 EP disclosed
EP-3148980-B1 WATER-BASED UV INKJET INK SUN CHEMICAL CORP (US) 2020-12-09 EP disclosed
EP-3518746-B1 [5]HELICENE DERIVATIVES AS MOLECULAR REPORTERS FOR DIAGNOSTIC APPLICATIONS AND METHODS OF SYNTHESIS THEREFOR NATIONAL SCIENCE AND TECH DEVELOPMENT AGENCY (TH) 2020-11-25 EP disclosed
US-4329289-A Adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1982-05-11 US disclosed
US-4314085-A Intermediates for preparing adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1982-02-02 US disclosed
US-4304721-A Adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1981-12-08 US disclosed
US-4301300-A ADRENERGIC BLOCKING AGENTS HOFFMANN-LA ROCHE INC. (US) 1981-11-17 US disclosed
US-4285873-A ANTIANDROGENS HOFFMANN-LA ROCHE INC. (US) 1981-08-25 US disclosed
US-4281189-A Sulfonamide intermediates for adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1981-07-28 US disclosed
US-4278608-A Adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1981-07-14 US disclosed
US-4247710-A THE 3'-HYDROXY, -BENZYLOXY, OR -HALO DERIVATIVES OF METHYL 4-((2'-HYDROXYPROPYL)OXY)PHENYLACETATE HOFFMANN-LA ROCHE INC. (US) 1981-01-27 US disclosed
US-4202978-A ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE, ANTISECRETORY, SPASMOLYTIC HOFFMANN-LA ROCHE INC. (US) 1980-05-13 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 (4 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-11420934-B2 PPAR agonists PPARG, PPARD, PPARA CA2 4853/4885MAPK1 2935/4885CHRM1 1106/4885
US-20080175852-A1 SYNTHESIS OF PHOSPHOCHOLINE ESTER DERIVATIVES AND CONJUGATES THEREOF PHOSPHO1, SGMS1, SGMS2 CA2 3114/4885MAPK1 2356/4885CHRM1 1887/4885
US-11578040-B2 [5]Helicene derivatives as molecular reporters for diagnostic applications and methods of synthesis therefor OR51E2, HDHD5, WEE1 CA2 1199/4885MAPK1 3200/4885CHRM1 2858/4885
US-11130779-B2 PPAR agonists and methods of use thereof PPARD, PPARG, PPARA CA2 4874/4885MAPK1 2783/4885CHRM1 531/4885

“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.