SCHEMBL3140908

SCHEMBL3140908

CC(Oc1cc(Br)c(Oc2ccc(N)cc2)c(Br)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
CYP2C19 P33261 1/20 0.44
THRA P10827 8/20 0.43
THRB P10828 8/20 0.43
POLB P06746 1/20 0.41
APOBEC3A P31941 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
MAP4K4 O95819 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 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
SCHEMBL3140495 0.83 SMN1; SMN2 (0.51) THRATHRB
SCHEMBL11749709 0.82 CYP1A2 (0.59) TDP1CYP1A2GAACYP2C9PKM
SCHEMBL655457 0.80 CYP1A2 (0.65) TDP1CYP1A2GAACYP2C9PKM
SCHEMBL28584562 0.80 CYP1A2 (0.65) TDP1CYP1A2GAACYP2C9PKM
SCHEMBL3925371 0.77 CYP19A1 (0.51) TDP1PKMTHRATHRBPOLB
SCHEMBL4527269 0.76 THRA (0.48) THRATHRBKDM4EALDH1A1
SCHEMBL3925367 0.74 MAPT (0.40) TDP1GAATHRATHRBPOLB
SCHEMBL3918815 0.74 THRB (0.48) THRATHRBALDH1A1
SCHEMBL8158091 0.74 MAPT (0.46) TDP1GAATHRATHRBPOLB
SCHEMBL21057239 0.73 TDP1 (0.56) TDP1CYP1A2GAACYP2C9PKM

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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2010-01-07 US disclosed
US-20090233979-A1 Indole Derivatives and Their Use as Thyroid Receptor Ligands KARO BIO AB (SE) 2009-09-17 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 (2 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-20090233979-A1 Indole Derivatives and Their Use as Thyroid Receptor Ligands TSHR, TRHR, THRA TDP1 2857/4885CYP1A2 534/4885GAA 4864/4885
US-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR TSHR, GHSR, TRHR TDP1 3062/4885CYP1A2 456/4885GAA 1547/4885

“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.