SCHEMBL4136739

SCHEMBL4136739

CC(O)c1cc(Br)cc(Br)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.56
GABRB1 P18505 2/20 0.56
CYP3A4 P08684 2/20 0.54
TSHR P16473 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
ERN1 O75460 1/20 0.41
ALOX15 P16050 5/20 0.39
ALOX12 P18054 5/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HPGD P15428 3/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL4644161 0.84 GABRA1 (0.78) GABRA1GABRB1CYP3A4TSHRTDP1
SCHEMBL27919073 0.83 GABRA1 (0.56) GABRA1GABRB1CYP3A4TSHRTDP1
SCHEMBL11475072 0.81 GABRA1 (0.54) GABRA1GABRB1CYP3A4TSHRTDP1
SCHEMBL2978694 0.79 GABRA1 (0.52) GABRA1GABRB1CYP3A4TSHRTDP1
SCHEMBL7068142 0.78 GABRA1 (0.50) GABRA1GABRB1CYP3A4TSHRTDP1
SCHEMBL22336337 0.78 ALOX5 (0.41) GABRA1GABRB1CYP3A4ALOX15ALOX12
SCHEMBL13268589 0.76 GABRA1 (0.48) GABRA1GABRB1CYP3A4TSHRALOX15
SCHEMBL5596430 0.76 CYP3A4 (0.56) GABRA1GABRB1CYP3A4TSHRTDP1
SCHEMBL16561617 0.76 GABRA1 (0.41) GABRA1GABRB1TDP1ALOX15ALDH1A1
SCHEMBL3490308 0.75 AKR1C3 (0.56) GABRA1GABRB1TSHRAKR1C4AKR1C3

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 GABRA1 4083/4885GABRB1 3312/4885CYP3A4 1115/4885

“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.