SCHEMBL23824909

SCHEMBL23824909

CC(O)Oc1cccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.42
DRD2 P14416 2/20 0.42
HTR2A P28223 2/20 0.42
HTR7 P34969 2/20 0.42
HTR6 P50406 2/20 0.42
SLC6A2 P23975 5/20 0.41
SLC6A4 P31645 5/20 0.41
SLC6A3 Q01959 4/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
GRM2 Q14416 2/20 0.37
LMNA P02545 2/20 0.37
HRH1 P35367 1/20 0.37
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
HPGD P15428 1/20 0.36
BCHE P06276 1/20 0.36
TRPA1 O75762 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL11916618 0.83 SLC6A2 (0.43) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL23825186 0.83 ALDH1A1 (0.54) ALDH1A1GAALMNAHPGDNPSR1
SCHEMBL23825214 0.82 CES2 (0.34) ALDH1A1GAACES2CES1
SCHEMBL7766001 0.80 SLC6A2 (0.41) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL23588427 0.77 SLC6A2 (0.48) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL6658005 0.77 HTR1A (0.39) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL13443190 0.76 SLC6A2 (0.38) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL2962387 0.75 KMT2A (0.47) ALDH1A1GAALMNA
SCHEMBL11012886 0.75 KMT2A (0.47) ALDH1A1GAALMNA
SCHEMBL17078209 0.74 CYP1A2 (0.39) HTR1AHTR2AHTR6SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3882235-B1 PRODUCTION METHOD FOR ISOCYANATE COMPOUND UNIV KOBE NAT UNIV CORP (JP) 2025-01-22 EP disclosed
US-12060312-B2 Production method for isocyanate compound NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2024-08-13 US disclosed
US-20220002234-A1 PRODUCTION METHOD FOR ISOCYANATE COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2022-01-06 US disclosed
EP-3882235-A1 PRODUCTION METHOD FOR ISOCYANATE COMPOUND National University Corporation Kobe University (JP) 2021-09-22 EP disclosed
CN-113015719-A Method for producing isocyanate compound 国立大学法人神户大学 2021-06-22 CN 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 (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-12060312-B2 Production method for isocyanate compound IDH2, CBR3, IDH3A HTR1A 1258/4885DRD2 700/4885HTR2A 1032/4885
US-20220002234-A1 PRODUCTION METHOD FOR ISOCYANATE COMPOUND IDH2, CBR3, IDH3A HTR1A 1258/4885DRD2 700/4885HTR2A 1032/4885

“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.