SCHEMBL23825152

SCHEMBL23825152

OC(F)(F)C(F)(F)Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.38
TSHR P16473 2/20 0.38
CCR6 P51684 3/20 0.36
KCNH2 Q12809 2/20 0.36
CA5A P35218 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
MLYCD O95822 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CA4 P22748 1/20 0.35
NR1H2 P55055 1/20 0.34
BAX Q07812 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
GRIN2B Q13224 1/20 0.34
RECQL P46063 1/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL6000951 0.80 LTA4H (0.41) LTA4HTSHRCA5ACA5BMLYCD
SCHEMBL6468423 0.78 LTA4H (0.39) LTA4HTSHRCA5ACA5BALDH1A1
SCHEMBL27548239 0.77 CA5A (0.38) LTA4HTSHRCCR6KCNH2CA5A
SCHEMBL13039942 0.76 CA4 (0.40) LTA4HTSHRCCR6KCNH2ALDH1A1
SCHEMBL10731637 0.76 TSHR (0.38) LTA4HTSHRCA5ACA5BALDH1A1
SCHEMBL821312 0.76 CA4 (0.40) LTA4HTSHRCCR6KCNH2ALDH1A1
SCHEMBL24497378 0.76 PPARG (0.41) LTA4HALDH1A1HDAC1HDAC2CES1
SCHEMBL17523323 0.74 CA4 (0.44) LTA4HTSHRCCR6KCNH2ALDH1A1
SCHEMBL10641866 0.74 CES1 (0.38) LTA4HTSHRALDH1A1HDAC1HDAC2
SCHEMBL18644835 0.74 LTA4H (0.45) LTA4HTSHRCA5ACA5BALDH1A1

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 LTA4H 1387/4885TSHR 3208/4885CCR6 3235/4885
US-20220002234-A1 PRODUCTION METHOD FOR ISOCYANATE COMPOUND IDH2, CBR3, IDH3A LTA4H 1387/4885TSHR 3208/4885CCR6 3235/4885

“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.