SCHEMBL5268073

SCHEMBL5268073

[CH2]c1ccccc1C(C(F)(F)F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL2089106 0.80 ALDH1A1 (0.31) ALDH1A1POLBTDP1L3MBTL1TSHR
SCHEMBL67468 0.79 ALDH1A1 (0.43) ALDH1A1POLBTDP1L3MBTL1TSHR
SCHEMBL18242624 0.76 ELANE (0.32)
SCHEMBL1119408 0.75 MAPT (0.31)
SCHEMBL1119514 0.73 LMNA (0.32)
SCHEMBL3159144 0.71 IDO1 (0.31)
SCHEMBL5250573 0.70
SCHEMBL8607372 0.70 ALDH1A1 (0.52) ALDH1A1POLBTDP1L3MBTL1TSHR
SCHEMBL6286508 0.70 ALDH1A1 (0.31) ALDH1A1POLBTDP1L3MBTL1TSHR
SCHEMBL3162553 0.70 P2RX7 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012142670-A1 NUCLEAR MAGNETIC RESONANCE AGENT THE UNIVERSITY OF QUEENSLAND (AU) 2012-10-26 WO claimed
WO-2003045441-A1 CONTRAST AGENTS FOR THE IN VIVO DETECTION OF ENZYME ACTIVITY AMERSHAM HEALTH AS (NO) 2003-06-05 WO claimed
WO-2012142670-A1 NUCLEAR MAGNETIC RESONANCE AGENT THE UNIVERSITY OF QUEENSLAND (AU) 2012-10-26 WO disclosed
EP-1465669-B1 METAL COMPLEX COMPOUNDS GE HEALTHCARE AS (NO) 2007-10-24 EP disclosed
US-7198776-B2 Metal complex compounds GE HEALTHCARE AS (NO) 2007-04-03 US disclosed
US-20050090653-A1 Metal complex compounds GE HEALTHCARE AS (NO) 2005-04-28 US disclosed
EP-1465669-A1 METAL COMPLEX COMPOUNDS Amersham Health AS (NO) 2004-10-13 EP disclosed
WO-2003045442-A1 METAL COMPLEX COMPOUNDS AMERSHAM HEALTH AS (NO) 2003-06-05 WO disclosed
WO-2003045441-A1 CONTRAST AGENTS FOR THE IN VIVO DETECTION OF ENZYME ACTIVITY AMERSHAM HEALTH AS (NO) 2003-06-05 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-20050090653-A1 Metal complex compounds ME3, MPI, ME2 ALDH1A1 2723/4885POLB 2143/4885TDP1 1967/4885

“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.