SCHEMBL7524628

SCHEMBL7524628

[O]c1ccccc1OC(F)(F)C(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
MAPT P10636 4/20 0.34
KDM4E B2RXH2 4/20 0.34
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HSP90AA1 P07900 1/20 0.34
GAA P10253 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
CCR8 P51685 1/20 0.34
KCNH2 Q12809 1/20 0.34
HTT P42858 2/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL30881973 0.86 TSHR (0.39) TSHRMAPK1ALDH1A1POLBTDP1
SCHEMBL2164875 0.86 TSHR (0.39) TSHRMAPK1ALDH1A1POLBTDP1
SCHEMBL364380 0.79 GAA (0.42) ALDH1A1POLBL3MBTL1KDM4EGAA
SCHEMBL943896 0.79 TSHR (0.35) TSHRMAPK1ALDH1A1POLBTDP1
SCHEMBL14388549 0.78 TSHR (0.36) TSHRMAPK1ALDH1A1POLBTDP1
SCHEMBL12868106 0.78 AR (0.41) TSHRMAPK1ALDH1A1L3MBTL1MEN1
SCHEMBL11113862 0.77 TSHR (0.35) TSHRMAPK1ALDH1A1POLBTDP1
SCHEMBL6443536 0.77 CA1 (0.54) TSHRMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL1619385 0.77 MEN1 (0.36) TSHRMAPK1ALDH1A1POLBTDP1
SCHEMBL418646 0.77 ALDH1A1 (0.45) TSHRMAPK1ALDH1A1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020198199-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2002-12-26 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 (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-20020198199-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade TFPI, F2, PLAT TSHR 2676/4885MAPK1 1628/4885ALDH1A1 2284/4885

“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.