SCHEMBL3296266

SCHEMBL3296266

C[C@H](Br)c1ccc2ccccc2c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.63
SLC6A2 P23975 8/20 0.49
SLC6A4 P31645 8/20 0.49
SLC6A3 Q01959 8/20 0.49
CYP2D6 P10635 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.49
TSHR P16473 1/20 0.49
HIF1A Q16665 1/20 0.49
ATM Q13315 1/20 0.48
MMP9 P14780 1/20 0.46
KCNH2 Q12809 4/20 0.45
CYP3A4 P08684 3/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45

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
SCHEMBL119251 1.00 UGT2B7 (0.63) UGT2B7SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL29756087 1.00 UGT2B7 (0.63) UGT2B7SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL3296875 1.00 UGT2B7 (0.63) UGT2B7SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL27938398 0.91 UGT2B7 (0.48) UGT2B7SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL29555341 0.83 UGT2B7 (0.71) UGT2B7CYP2D6MEN1KMT2ACYP1A2
SCHEMBL599956 0.83 UGT2B7 (0.71) UGT2B7CYP2D6MEN1KMT2ACYP1A2
Naphthalene SCHEMBL9636781 0.83 UGT2B7 (0.71) UGT2B7CYP2D6MEN1KMT2ACYP1A2
SCHEMBL9179436 0.83 UGT2B7 (0.71) UGT2B7CYP2D6MEN1KMT2ACYP1A2
SCHEMBL30928206 0.83 UGT2B7 (0.71) UGT2B7CYP2D6MEN1KMT2ACYP1A2
Naphthalene SCHEMBL29078859 0.83 UGT2B7 (0.71) UGT2B7CYP2D6MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741513-B2 Thioacids and thioacid salts for determining the enantiomeric excess of chiral compounds containing an electrophilic carbon center RICHMAN JACK E 2010-06-22 US disclosed
US-20090181462-A1 Thioacids and thioacid salts for determining the enantiomeric excess of chiral compounds containing an electrophilic carbon center RICHMAN JACK E 2009-07-16 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-20090181462-A1 Thioacids and thioacid salts for determining the enantiomeric excess of chiral compounds containing an electrophilic carbon center TST, SLC6A6, MPST UGT2B7 444/4885SLC6A2 420/4885SLC6A4 206/4885

“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.