SCHEMBL6883398

SCHEMBL6883398

CC(CCc1ccccc1)OCCBr

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
OPRK1 P41145 1/20 0.37
KDM4E B2RXH2 1/20 0.37
BCHE P06276 1/20 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
SCHEMBL1997775 0.86 TDP1 (0.47) TDP1TSHRPOLBALDH1A1
SCHEMBL17929078 0.79 SMN1; SMN2 (0.46) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL14118736 0.79 BCHE (0.46) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL3033446 0.78 KCNH2 (0.44) CYP1A2CYP2C9CYP2C19
SCHEMBL10769406 0.77 TDP1 (0.41) TDP1TSHRMEN1KMT2ACYP2C9
SCHEMBL585331 0.77 TSHR (0.47) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL11808863 0.75 TDP1 (0.50) TDP1TSHRPOLBMEN1KMT2A
SCHEMBL13626178 0.75 TSHR (0.46) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL820953 0.75 TSHR (0.46) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL4722884 0.74 TSHR (0.41) TDP1TSHRMEN1KMT2AALDH1A1

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-20040204477-A1 Interaction inhibitors of tcf-4 with beta-catenin PHARMACIA ITALIA S.P.A. (IT) 2004-10-14 US disclosed
EP-1406889-A2 INTERACTION INHIBITORS OF TCF-4 WITH BETA-CATENIN Pharmacia Italia S.p.A. (IT) 2004-04-14 EP disclosed
WO-2003006447-A2 INTERACTION INHIBITORS OF TCF-4 WITH BETA-CATENIN PHARMACIA ITALIA SPA (IT) 2003-01-23 WO 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-20040204477-A1 Interaction inhibitors of tcf-4 with beta-catenin TCF4, TCF7, TCF7L2 TDP1 3444/4885TSHR 3122/4885POLB 1474/4885

“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.