SCHEMBL708297

SCHEMBL708297

BrC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.46
HTR2A P28223 2/20 0.46
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
ACHE P22303 3/20 0.37
BCHE P06276 2/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37

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
SCHEMBL30230992 1.00 GPR3 (0.46) GPR3HTR2AHDAC3HDAC4HDAC7
Bromide SCHEMBL29090090 0.97 GPR3 (0.44) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL6902840 0.84 MEN1 (0.52) NCOR2POLBCYP1A2BCHEKMT2A
SCHEMBL31124667 0.83 MEN1 (0.35) GPR3HTR2AKMT2AMEN1
SCHEMBL6055957 0.82 GPR3 (0.34) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL2672974 0.82 CYP1A2 (0.46) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL3263053 0.81 GPR3 (0.46) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL31318355 0.80 GPR3 (0.46) GPR3HTR2ACHRM2HTR1AADRA2A
SCHEMBL27811287 0.80 GPR3 (0.46) GPR3HTR2ACYP1A2HTR1ASLC6A2
SCHEMBL27818578 0.80 PPIA (0.43) GPR3POLBCYP1A2HTR1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894522-B Synthesis method and application of molecule containing triazole penicillin 海南医学院 2024-10-22 CN claimed
CN-118180139-B Method for degrading halogenated polycyclic aromatic hydrocarbon in soil by using manganese potassium ore 南京农业大学 2024-09-06 CN claimed
CN-118180139-A Method for degrading halogenated polycyclic aromatic hydrocarbon in soil by using manganese potassium ore 南京农业大学 2024-06-14 CN claimed
CN-116116205-A Method for retarding generation of chloro-and bromo-polycyclic aromatic hydrocarbon by polycyclic aromatic hydrocarbon precursor 国科大杭州高等研究院 2023-05-16 CN claimed
CN-115894522-A Synthesis method and application of triazole penicillin-containing molecules 海南医学院 2023-04-04 CN claimed
CN-111848452-A Arylamine diphenyl trans-butenedionitrile derivative with efficient undoped electroluminescence of long-wave red light 北京印刷学院 2020-10-30 CN claimed
CN-107033189-B Platinum (II) complex and preparation method and application thereof 南京工业大学 2019-06-25 CN claimed
US-10112896-B2 Method for synthesizing dissymmetric sulfoether SOOCHOW UNIVERSITY (CN) 2018-10-30 US claimed
US-20180201576-A1 METHOD FOR SYNTHESIZING DISSYMMETRIC SULFOETHER SOOCHOW UNIVERSITY (CN) 2018-07-19 US claimed
CN-107868049-A Organic compound and organic electroluminescence device using the fluorenes of 9,9 ' spiral shell two as core 江苏三月光电科技有限公司 2018-04-03 CN claimed
CN-101255336-A Electroluminescent spectrum-stable blue fluorene-based polymers as well as preparation method and uses thereof UNIV SOUTH CHINA TECH (CN) 2008-09-03 CN claimed
CN-101113326-A White electroluminescent macromolecule material and method for making same CHANGCHUN APPLIED CHEMISTRY (CN) 2008-01-30 CN claimed
CN-101113327-A White electroluminescent macromolecule material and method for making same CHANGCHUN APPLIED CHEMISTRY (CN) 2008-01-30 CN claimed
CN-100363458-C White electroluminescent high polymer material and preparation method thereof CHANGCHUN APPLIED CHEMISTRY (CN) 2008-01-23 CN claimed
CN-1295298-C Blue color electroluminescent macromolecular material and method for making same CHANGCHUN APPLIED CHEMISTRY (CN) 2007-01-17 CN claimed
CN-1637112-A Blue light-emitting electroluminescent polyfluorene material and its prepn process CHANGCHUN APPLIED CHEMISTRY (CN) 2005-07-13 CN claimed
CN-1635047-A Blue color electroluminescent macromolecular material and method for making same CHANGCHUN APPLIED CHEMISTRY (CN) 2005-07-06 CN claimed
CN-1580179-A White electroluminescent high polymer material and preparation method thereof CHANGCHUN APPLIED CHEMISTRY (CN) 2005-02-16 CN claimed
WO-2003011917-A1 METHOD OF CURING ELASTOMERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-02-13 WO claimed
EP-0422843-B1 6-0 Methylerythromycin A oxime derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 1995-02-15 EP claimed

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-10112896-B2 Method for synthesizing dissymmetric sulfoether STS, TST, SCLY GPR3 3884/4885HTR2A 3843/4885HDAC3 3382/4885
US-20180201576-A1 METHOD FOR SYNTHESIZING DISSYMMETRIC SULFOETHER STS, TST, SCLY GPR3 3884/4885HTR2A 3843/4885HDAC3 3382/4885

“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.