SCHEMBL4218262

SCHEMBL4218262

Fc1cccc(F)c1Cc1cccs1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.42
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
ADRA1D P25100 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 1/20 0.39
OPRK1 P41145 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL28301536 0.82 CYP2C9 (0.52) KDM4EHPGDSMN1; SMN2PTGS1PTGS2
SCHEMBL3456460 0.79 HPGD (0.44) TAAR1KDM4EHPGDDRD4DRD3
SCHEMBL9024874 0.78 HPGD (0.54) TAAR1KDM4EHPGDDRD4DRD3
SCHEMBL559559 0.77 TAAR1 (0.56) TAAR1HPGDADRA1DALDH1A1LMNA
SCHEMBL28998728 0.75 POLB (0.47) TAAR1HPGDADRA1DPTGS1PTGS2
SCHEMBL7022414 0.75 TAAR1 (0.47) TAAR1ADRA1DLMNATSHRCYP2C9
SCHEMBL7073867 0.75 DRD2 (0.43) TAAR1HPGDDRD4DRD3ADRA1D
SCHEMBL5205493 0.74 TAAR1 (0.46) TAAR1KDM4ESMN1; SMN2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL15129169 0.73 TAAR1 (0.45) TAAR1ADRA1DLMNATSHRCYP2C9
Acetonitrile SCHEMBL28270697 0.71 KDM4E (0.45) TAAR1KDM4EHPGDDRD4DRD3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110192294-B Lithium electrode and lithium secondary battery comprising same 株式会社LG新能源 2022-09-20 CN claimed
CN-111033864-B Electrolyte for lithium metal battery and lithium metal battery comprising same 株式会社LG新能源 2022-08-12 CN claimed
CN-115260211-A Thiophene fused ring containing derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-11-01 CN disclosed
CN-110192294-B Lithium electrode and lithium secondary battery comprising same 株式会社LG新能源 2022-09-20 CN disclosed
CN-111033864-B Electrolyte for lithium metal battery and lithium metal battery comprising same 株式会社LG新能源 2022-08-12 CN disclosed
US-20090042726-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-12 US disclosed
EP-1965644-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2008-09-10 EP disclosed
WO-2007071900-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2007-06-28 WO 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 (1 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-20090042726-A1 Novel Herbicides DDT, CBR3, CBR1 TAAR1 974/4885KDM4E 1271/4885HPGD 1388/4885

“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.