SCHEMBL3972458

SCHEMBL3972458

COc1ccc(-c2ccc(C=O)cc2)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
TSHR P16473 1/20 0.55
AOX1 Q06278 1/20 0.50
TUBB1 Q9H4B7 2/20 0.49
FDPS P14324 1/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 2/20 0.47
TRIM24 O15164 1/20 0.46
HPGD P15428 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
CYP2A6 P11509 1/20 0.46
PRKDC P78527 1/20 0.44
TTR P02766 1/20 0.44

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
SCHEMBL155784 0.85 ALDH1A1 (0.68) ALDH1A1TSHRAOX1TUBB1FDPS
SCHEMBL29723752 0.85 ALDH1A1 (0.68) ALDH1A1TSHRAOX1TUBB1FDPS
SCHEMBL7218179 0.84 ALDH1A1 (0.71) ALDH1A1TSHRAOX1TUBB1FDPS
SCHEMBL12326165 0.83 MAPT (0.56) ALDH1A1TSHRTUBB1MAPTSMN1; SMN2
SCHEMBL29697785 0.83 MAPT (0.56) ALDH1A1TSHRTUBB1MAPTSMN1; SMN2
SCHEMBL18640078 0.81 ALDH1A1 (0.56) ALDH1A1TSHRAOX1FDPSMAPT
SCHEMBL3975568 0.80 POLB (0.48) ALDH1A1TUBB1MAPTSMN1; SMN2NPC1
SCHEMBL3975567 0.80 POLB (0.48) ALDH1A1TUBB1MAPTSMN1; SMN2NPC1
SCHEMBL23829856 0.79 ALDH1A1 (0.74) ALDH1A1TSHRAOX1TUBB1FDPS
SCHEMBL2010199 0.79 ERN1 (0.60) ALDH1A1TSHRAOX1TUBB1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534894-B2 Biphenyloxy-acids WYETH (US) 2009-05-19 US disclosed
EP-1667959-A1 BIPHENYLOXY-ACIDS Wyeth (US) 2006-06-14 EP disclosed
US-20060020003-A1 Biphenyloxy-acids WYETH (US) 2006-01-26 US disclosed
WO-2005030702-A1 BIPHENYLOXY-ACIDS WYETH (US) 2005-04-07 WO disclosed
EP-1412327-A2 INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE LG Biomedical Institute (US) 2004-04-28 EP disclosed
US-20030208067-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-11-06 US disclosed
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-10-02 US disclosed
WO-2002096867-A2 INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE LG BIOMEDICAL INSTITUTE (US) 2002-12-05 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 (3 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-20060020003-A1 Biphenyloxy-acids AHR, ARNT, NR1H4 ALDH1A1 388/4885TSHR 878/4885AOX1 104/4885
US-20030208067-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 ALDH1A1 3678/4885TSHR 4473/4885AOX1 3495/4885
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 ALDH1A1 3678/4885TSHR 4473/4885AOX1 3495/4885

“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.