SCHEMBL4136744

SCHEMBL4136744

OCCc1cc(Br)cc(Br)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GFER P55789 1/20 0.46
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PLEC Q15149 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
LMNA P02545 2/20 0.42
TTR P02766 1/20 0.42

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
SCHEMBL27919070 0.83 CYP3A4 (0.54) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL2120858 0.82 CYP3A4 (0.59) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL67463 0.79 CYP3A4 (0.62) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL930175 0.79 ERN1 (0.44) CYP3A4TSHRTDP1GFERMEN1
SCHEMBL14742005 0.79 CYP1A2 (0.40) CYP3A4TSHRTDP1GFERMEN1
SCHEMBL1621332 0.79 GAA (0.54) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL29038541 0.78 GFER (0.50) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL2919093 0.77 CYP3A4 (0.59) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL27837496 0.77 CYP2D6 (0.45) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL8335195 0.76 ERN1 (0.48) CYP3A4TSHRTDP1GABRA1GABRB1

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-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents BIODERM RESEARCH (US) 2009-03-19 US claimed

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-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents TYR, MMP17, MMP1 CYP3A4 1115/4885TSHR 2624/4885TDP1 1464/4885

“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.