SCHEMBL1098772

SCHEMBL1098772

C1#Cc2ccccc2CCCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
CYP2A6 P11509 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KIF11 P52732 1/20 0.32
KDM1A O60341 1/20 0.31
MAPT P10636 1/20 0.31
HTR2C P28335 1/20 0.30

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
Fluoride SCHEMBL31607698 0.98 TSHR (0.48) TSHRHPGDL3MBTL1BCL2L1BAD
SCHEMBL16684913 0.98 TSHR (0.48) TSHRHPGDL3MBTL1BCL2L1BAD
SCHEMBL20477815 0.84 TSHR (0.38) TSHRCYP2A6MAOBHTR2C
SCHEMBL8661929 0.81 TSHR (0.30) TSHR
SCHEMBL62945 0.80 TSHR (0.52) TSHRHPGDL3MBTL1BCL2L1BAD
SCHEMBL9421049 0.80 TSHR (0.52) TSHRHPGDL3MBTL1BCL2L1BAD
SCHEMBL177122 0.78 TSHR (0.50) TSHRHPGDL3MBTL1BCL2L1BAD
SCHEMBL327799 0.76 TSHR (0.43) TSHRCYP2A6MAOAMAOBHTR2C
SCHEMBL31251596 0.76 TSHR (0.43) TSHRCYP2A6MAOAMAOBHTR2C
SCHEMBL3884 0.73 TSHR (0.48) TSHRHPGDL3MBTL1BCL2L1BAD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119331240-A Benzocyclooctyne-polyethylene glycol modified halofuginone and preparation method and application thereof 南京大学 2025-01-21 CN claimed
CN-118409092-B Aptamer functionalized magnetic bead for interferon gamma detection, preparation method thereof and kit 上海市肺科医院(上海市职业病防治院) 2024-10-18 CN claimed
CN-118409092-A Aptamer functionalized magnetic bead for interferon gamma detection, preparation method thereof and kit 上海市肺科医院(上海市职业病防治院) 2024-07-30 CN claimed
WO-2023175063-A1 METHOD FOR SEPARATING HIGH-METHYLATED DNA AND LOW-METHYLATED DNA UNIVERSITEIT TWENTE (NL) 2023-09-21 WO claimed
WO-2023128875-A2 METHOD OF BACTERIAL IDENTIFICATION AND TESTING OF BACTERIUM RESISTANT TO ONE OR MORE ANTIBIOTICS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2023-07-06 WO claimed
US-20230044430-A1 COMPOSITION AND METHOD FOR MODIFYING POLYPEPTIDES KRANTZ ALEXANDER (US) 2023-02-09 US claimed
WO-2017196544-A1 NOVEL COMPOSITIONS FOR LABELING BIOMOLECULES AND METHODS USING SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-16 WO claimed
WO-2013013820-A1 FUNCTIONALIZATION OF RNA OLIGONUCLEOTIDES Universität Heidelberg (DE) 2013-01-31 WO claimed
EP-2551354-A1 Functionalization of RNA oligonucleotides Universität Heidelberg (DE) 2013-01-30 EP claimed
CN-119331240-B Benzocyclooctyne-polyethylene glycol modified halofuginone and preparation method and application thereof 南京大学 2026-01-02 CN disclosed
WO-2025087235-A1 NUCLEIC ACID APTAMER-DRUG CONJUGATE, PHARMACEUTICAL COMPOSITION, AND USE THEREOF 北京华睿鼎信科技有限公司 2025-05-01 WO disclosed
CN-116693590-B Fusidic acid derivative and preparation method and application thereof 南京工业大学 2025-03-18 CN disclosed
CN-119331240-A Benzocyclooctyne-polyethylene glycol modified halofuginone and preparation method and application thereof 南京大学 2025-01-21 CN disclosed
CN-119331240-A Benzocyclooctyne-polyethylene glycol modified halofuginone and preparation method and application thereof 南京大学 2025-01-21 CN disclosed
WO-2013013820-A1 FUNCTIONALIZATION OF RNA OLIGONUCLEOTIDES Universität Heidelberg (DE) 2013-01-31 WO disclosed
EP-2551354-A1 Functionalization of RNA oligonucleotides Universität Heidelberg (DE) 2013-01-30 EP disclosed
US-20120190098-A1 FLUOROGENIC COMPOUNDS CONVERTED TO FLUOROPHORES BY PHOTOCHEMICAL OR CHEMICAL MEANS AND THEIR USE IN BIOLOGICAL SYSTEMS LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-07-26 US disclosed
WO-2012047663-A2 METHODS INCLUDING LATENT 1,3-DIPOLE-FUNCTIONAL COMPOUNDS AND MATERIALS PREPARED THEREBY UNIVERSITY OF GEORGIA REASERCH FOUNDATION, INC. (US) 2012-04-12 WO disclosed
US-8153446-B2 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems KENT STATE UNIVERSITY (US) 2012-04-10 US disclosed
US-20100029952-A1 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems KENT STATE UNIVERSITY (US) 2010-02-04 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-20230044430-A1 COMPOSITION AND METHOD FOR MODIFYING POLYPEPTIDES PTMS, SRMS, ACP1 TSHR 1068/4885HPGD 4632/4885L3MBTL1 910/4885
US-20120190098-A1 FLUOROGENIC COMPOUNDS CONVERTED TO FLUOROPHORES BY PHOTOCHEMICAL OR CHEMICAL MEANS AND THEIR USE IN BIOLOGICAL SYSTEMS MPI, ACR, PFAS TSHR 2426/4885HPGD 1767/4885L3MBTL1 1877/4885
US-20100029952-A1 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems MPI, ACR, PFAS TSHR 2426/4885HPGD 1767/4885L3MBTL1 1877/4885

“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.