SCHEMBL9305980

SCHEMBL9305980

O=C1OC2(c3ccc(O)c(Br)c3Oc3c2cc(Br)c(O)c3Br)c2c(Cl)c(Cl)c(Cl)c(Cl)c21

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.85
RECQL P46063 3/20 0.85
TDP1 Q9NUW8 3/20 0.85
ALDH1A1 P00352 3/20 0.85
HPGD P15428 2/20 0.85
BRCA1 P38398 2/20 0.85
HSD17B10 Q99714 2/20 0.85
CYP3A4 P08684 1/20 0.85
TSHR P16473 1/20 0.85
MAPK1 P28482 1/20 0.85
CASP1 P29466 1/20 0.85
HIF1A Q16665 1/20 0.85
SMAD3 P84022 1/20 0.68
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
BLM P54132 2/20 0.55
GLB1 P16278 1/20 0.55
CTRC Q99895 1/20 0.55
PRMT1 Q99873 1/20 0.53
GNG2 P59768 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
SCHEMBL30023355 0.92 THRB (1.00) THRBRECQLTDP1ALDH1A1HPGD
SCHEMBL29380916 0.92 THRB (1.00) THRBRECQLTDP1ALDH1A1HPGD
SCHEMBL31648221 0.92 THRB (1.00) THRBRECQLTDP1ALDH1A1HPGD
SCHEMBL111115 0.92 THRB (1.00) THRBRECQLTDP1ALDH1A1HPGD
SCHEMBL1435780 0.91 THRB (0.98) THRBRECQLTDP1ALDH1A1HPGD
SCHEMBL185362 0.91 THRB (0.98) THRBRECQLTDP1ALDH1A1HPGD
Bromide SCHEMBL22494505 0.90 SMAD3 (0.75) THRBRECQLTDP1ALDH1A1HPGD
SCHEMBL14982853 0.86 THRB (0.87) THRBRECQLTDP1ALDH1A1HPGD
SCHEMBL1275840 0.86 SMAD3 (0.66) THRBRECQLTDP1ALDH1A1HPGD
SCHEMBL6454855 0.85 SMAD3 (0.65) THRBRECQLTDP1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200315976-A1 Encapsulation Methods and Compositions PRODO LABORATORIES INC (US) 2020-10-08 US disclosed
WO-1994020850-A1 pH-ZONE-REFINING COUNTERCURRENT CHROMATOGRAPHY THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-09-15 WO disclosed
US-5332504-A Acidification and basification of liquids and centrifuging THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-07-26 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-20200315976-A1 Encapsulation Methods and Compositions EPCAM, ICAM1, CD63 THRB 4776/4885RECQL 1088/4885TDP1 2579/4885

“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.