SCHEMBL361940

SCHEMBL361940

CCC(CCCCCBr)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.63
MAPK1 P28482 1/20 0.63
GRIK1 P39086 2/20 0.46
GRIK2 Q13002 2/20 0.46
LCK P06239 1/20 0.44
PPARD Q03181 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
SLC1A2 P43004 3/20 0.43
SLC1A1 P43005 3/20 0.43
CHRM1 P11229 1/20 0.43
AKR1A1 P14550 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL1798885 1.00 CA2 (0.63) CA2MAPK1GRIK1GRIK2LCK
SCHEMBL8663246 1.00 CA2 (0.63) CA2MAPK1GRIK1GRIK2LCK
SCHEMBL23071374 1.00 CA2 (0.63) CA2MAPK1GRIK1GRIK2LCK
SCHEMBL284756 0.98 CA2 (0.65) CA2MAPK1GRIK1GRIK2LCK
SCHEMBL1554383 0.91 CA2 (0.68) CA2MAPK1GRIK1GRIK2LCK
SCHEMBL14359878 0.89 CA2 (0.77) CA2MAPK1GRIK1GRIK2LCK
SCHEMBL27901184 0.89 CA2 (0.77) CA2MAPK1GRIK1GRIK2LCK
SCHEMBL14360381 0.89 CA2 (0.77) CA2MAPK1GRIK1GRIK2LCK
SCHEMBL10897254 0.87 CA2 (0.81) CA2MAPK1GRIK1GRIK2SLC1A2
SCHEMBL18641746 0.86 GRIK1 (0.58) CA2MAPK1GRIK1GRIK2LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4088536-A ALKYLATING LITHIUM CYCLOPENTADIENE, OXYGENATING TO PRODUCE HYDROXYCLYCLOPENTENONES, SEPARATION, MULTISTAGE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1978-05-09 US claimed
US-4031129-A LITHIUM CYCLOPENTADIENE, ETHYL-7-BROMOHEPTANOATE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1977-06-21 US claimed
EP-4598536-A2 INDAZOLE PYRIDONE COMPOUNDS AND USES THEREOF Bluejay Therapeutics, Inc. (US) 2025-08-13 EP disclosed
US-20240182472-A1 INDAZOLE PYRIDONE COMPOUNDS AND USES THEREOF MIRUM PHARMACEUTICALS, INC. 2024-06-06 US disclosed
WO-2024077024-A2 INDAZOLE PYRIDONE COMPOUNDS AND USES THEREOF BLUEJAY THERAPEUTICS, INC. (US) 2024-04-11 WO disclosed
EP-2970154-B1 TETRAHYDROXAMATE CHELATORS OF ZIRCONIUM89 AND NIOBIUM90 FOR USE IN DIAGNOSTIC APPLICATIONS US HEALTH (US) 2021-07-07 EP disclosed
US-10137212-B2 Tetrahydroxamate chelators of zirconium89 and niobium90 for use in diagnostic applications THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-11-27 US disclosed
EP-2593452-B1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS NOVARTIS AG (CH) 2017-01-18 EP disclosed
US-20160022844-A1 TETRAHYDROXAMATE CHELATORS OF ZIRCONIUM89 AND NIOBIUM90 FOR USE IN DIAGNOSTIC APPLICATIONS The USA, as represented by the secretary, Department of Health & Human Service (US) 2016-01-28 US disclosed
EP-2970154-A1 TETRAHYDROXAMATE CHELATORS OF ZIRCONIUM89 AND NIOBIUM90 FOR USE IN DIAGNOSTIC APPLICATIONS The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2016-01-20 EP disclosed
US-9132127-B2 Substituted pyrido[2,3-B]pyrazines as IP receptor agonists NOVARTIS AG (CH) 2015-09-15 US disclosed
US-4177346-A 1,5-Disubstituted-2-pyrrolidones PFIZER INC. (US) 1979-12-04 US disclosed
US-4155908-A PSORIASIS, ANTICOAGULANTS MERCK & CO., INC. (US) 1979-05-22 US disclosed
US-4142056-A MULTISTAGE PROCESS FOR PREPARING 2-(6'-CARBOMETHOXYHEXYL)-2-CYCLOPENTEN-1-ONE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1979-02-27 US disclosed
US-4128564-A 9-Thia- and oxothia- and 9-dioxothia-11,12-seco-prostaglandins MERCK & CO., INC. (US) 1978-12-05 US disclosed
US-4088536-A ALKYLATING LITHIUM CYCLOPENTADIENE, OXYGENATING TO PRODUCE HYDROXYCLYCLOPENTENONES, SEPARATION, MULTISTAGE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1978-05-09 US disclosed
US-4085125-A 9-Thia-, 9-oxothia-, and 9-dioxothia-11,12-seco-prostaglandins and processes MERCK & CO., INC. (US) 1978-04-18 US disclosed
US-4066675-A PSORIASIS, THROMBOSIS MERCK & CO., INC. (US) 1978-01-03 US disclosed
US-4031129-A LITHIUM CYCLOPENTADIENE, ETHYL-7-BROMOHEPTANOATE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1977-06-21 US disclosed
US-4018802-A SKIN DISEASES, GROWTH HORMONE STIMULANTS, THROMBUS PREVENTION, IMMUNOLOGY MERCK & CO., INC. (US) 1977-04-19 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-20240182472-A1 INDAZOLE PYRIDONE COMPOUNDS AND USES THEREOF PFKL, PNPO, CYP7A1 CA2 4821/4885MAPK1 2554/4885GRIK1 1390/4885
US-20160022844-A1 TETRAHYDROXAMATE CHELATORS OF ZIRCONIUM89 AND NIOBIUM90 FOR USE IN DIAGNOSTIC APPLICATIONS SLC39A3, SLC39A11, SLC39A7 CA2 2081/4885MAPK1 4360/4885GRIK1 727/4885
US-10137212-B2 Tetrahydroxamate chelators of zirconium89 and niobium90 for use in diagnostic applications SLC39A3, SLC39A11, SLC39A7 CA2 2081/4885MAPK1 4360/4885GRIK1 727/4885

“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.