SCHEMBL4855878

SCHEMBL4855878

CC(=O)OC(=O)C(F)(F)Br

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4855868 0.83
SCHEMBL31412982 0.80
SCHEMBL53 0.78 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL968944 0.78 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL28982624 0.77 ELANE (0.35)
SCHEMBL25283311 0.76 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10TDP1
Hydrogen Peroxide SCHEMBL28819174 0.76 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL27857212 0.76 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10TDP1
Chloromethane SCHEMBL28080032 0.76 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10TDP1
Methyl Alcohol SCHEMBL27921533 0.76 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10TDP1

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
US-20240327361-A1 RADIOLABELED COMPOSITIONS AND METHODS OF USE THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-10-03 US claimed
WO-2022174193-A1 RADIOLABELED COMPOSITIONS AND METHODS OF USE THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-08-18 WO claimed
US-7414148-B2 Process for producing alkoxycarbonylfluoroalkanesulfonates CENTRAL GLASS COMPANY LIMITED (JP) 2008-08-19 US claimed
US-20080108846-A1 PROCESS FOR PRODUCING ALKOXYCARBONYLFLUOROALKANESULFONATES CENTRAL GLASS COMPANY, LIMITED (JP) 2008-05-08 US claimed
US-20240327361-A1 RADIOLABELED COMPOSITIONS AND METHODS OF USE THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-10-03 US disclosed
WO-2022174193-A1 RADIOLABELED COMPOSITIONS AND METHODS OF USE THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-08-18 WO disclosed
US-7414148-B2 Process for producing alkoxycarbonylfluoroalkanesulfonates CENTRAL GLASS COMPANY LIMITED (JP) 2008-08-19 US disclosed
US-20080108846-A1 PROCESS FOR PRODUCING ALKOXYCARBONYLFLUOROALKANESULFONATES CENTRAL GLASS COMPANY, LIMITED (JP) 2008-05-08 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 (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-20080108846-A1 PROCESS FOR PRODUCING ALKOXYCARBONYLFLUOROALKANESULFONATES ARSA, PFAS, MPST ALDH1A1 713/4885TSHR 3426/4885HSD17B10 841/4885
US-20240327361-A1 RADIOLABELED COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC3, HDAC5 ALDH1A1 989/4885TSHR 2179/4885HSD17B10 404/4885

“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.