SCHEMBL3138555

SCHEMBL3138555

C/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.53
TTR P02766 1/20 0.47
PTP4A1 Q93096 1/20 0.45
PTPN1 P18031 2/20 0.43
PTPN2 P17706 1/20 0.43
PTPN6 P29350 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
ABCG2 Q9UNQ0 3/20 0.41
TRPA1 O75762 1/20 0.41
PRMT1 Q99873 1/20 0.41
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EGFR P00533 2/20 0.39
IGF1R P08069 2/20 0.39
CISD1 Q9NZ45 1/20 0.39
LCK P06239 2/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39

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
SCHEMBL3138557 1.00 AKR1C3 (0.53) AKR1C3TTRPTP4A1PTPN1PTPN2
SCHEMBL8746655 0.83 AKR1C3 (0.67) AKR1C3
SCHEMBL8746653 0.83 AKR1C3 (0.67) AKR1C3
SCHEMBL17041936 0.80 AKR1C3 (0.53) AKR1C3TTRCYP3A4EGFRCYP2C9
SCHEMBL8746648 0.79 AKR1C3 (0.57) AKR1C3KDM4ECYP3A4EGFRLCK
SCHEMBL3418803 0.79 AKR1C3 (0.57) AKR1C3KDM4ECYP3A4EGFRLCK
SCHEMBL6072489 0.76 PKM (0.57) AKR1C3KDM4EGAACYP3A4TDP1
SCHEMBL11303373 0.76 GABBR2 (0.58) AKR1C3KDM4EGAATSHRCYP3A4
SCHEMBL11303376 0.76 GABBR2 (0.58) AKR1C3KDM4EGAATSHRCYP3A4
SCHEMBL30812355 0.76 PKM (0.57) AKR1C3KDM4EGAACYP3A4TDP1

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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2010-01-07 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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR TSHR, GHSR, TRHR AKR1C3 262/4885TTR 477/4885PTP4A1 1715/4885

“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.