SCHEMBL20437117

SCHEMBL20437117

Cc1ccc(CC(C(=O)O)N2C(=O)C(Br)=C(Br)C2=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
GAA P10253 1/20 0.59
POLB P06746 3/20 0.57
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.51
CYP2D6 P10635 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
AADAT Q8N5Z0 1/20 0.50
PLA2G1B P04054 1/20 0.49
MAPT P10636 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL17114021 0.86 POLB (0.71) ALDH1A1GAAPOLBKMT2AMEN1
SCHEMBL20246861 0.85 ALDH1A1 (0.82) ALDH1A1GAAPOLBKMT2AMEN1
SCHEMBL20437114 0.79 ALDH1A1 (0.46) ALDH1A1GAAPOLBKMT2AMEN1
SCHEMBL17114042 0.78 ALDH1A1 (0.47) ALDH1A1GAAPOLBKMT2AMEN1
SCHEMBL30216480 0.74 ALDH1A1 (1.00) ALDH1A1GAAPOLBKMT2AMEN1
SCHEMBL4861809 0.74 ALDH1A1 (1.00) ALDH1A1GAAPOLBKMT2AMEN1
SCHEMBL392680 0.74 ALDH1A1 (1.00) ALDH1A1GAAPOLBKMT2AMEN1
SCHEMBL478614 0.74 ALDH1A1 (1.00) ALDH1A1GAAPOLBKMT2AMEN1
SCHEMBL20437112 0.73 MAP3K5 (0.40) ALDH1A1GAAPOLBKMT2AMEN1
Hydrochloric Acid SCHEMBL7840775 0.73 ALDH1A1 (0.97) ALDH1A1GAAPOLBKMT2AMEN1

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-20180215709-A1 TYPE III DEIODINASE INHIBITORS AND USES THEREOF HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2018-08-02 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-20180215709-A1 TYPE III DEIODINASE INHIBITORS AND USES THEREOF TPO, DPP3, HSD17B3 ALDH1A1 212/4885GAA 768/4885POLB 1775/4885

“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.