SCHEMBL3973962

SCHEMBL3973962

CCCc1c(C(=O)NCc2ccc(-c3ccc(OC(C)C(=O)O)c(Br)c3)cc2)cnn1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
MAPK1 P28482 4/20 0.46
MAPT P10636 4/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 2/20 0.44
MAPK14 Q16539 7/20 0.44
LMNA P02545 1/20 0.43
MAPK11 Q15759 1/20 0.42

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
SCHEMBL3971826 0.88 ALDH1A1 (0.48) ALDH1A1MAPK1MAPTHPGDPOLB
SCHEMBL3970328 0.88 ALDH1A1 (0.55) ALDH1A1MAPK1MAPTHPGDPOLB
SCHEMBL3978334 0.85 MAPK14 (0.47) ALDH1A1MAPK1MAPTHPGDPOLB
SCHEMBL3972889 0.85 HPGD (0.51) ALDH1A1MAPK1MAPTHPGDPOLB
SCHEMBL3970085 0.82 ALDH1A1 (0.44) ALDH1A1MAPK1MAPTHPGDPOLB
SCHEMBL5995027 0.80 HPGD (0.57) ALDH1A1MAPK1MAPTHPGDPOLB
SCHEMBL3971476 0.79 ALDH1A1 (0.58) ALDH1A1MAPK1MAPTHPGDPOLB
SCHEMBL4670283 0.75 PTPN1 (0.51) ALDH1A1MAPK1MAPTHPGDPOLB
SCHEMBL2858114 0.75 HPGD (0.57) ALDH1A1MAPK1MAPTHPGDPOLB
SCHEMBL2857376 0.74 ALDH1A1 (0.67) ALDH1A1MAPK1MAPTHPGDPOLB

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-7534894-B2 Biphenyloxy-acids WYETH (US) 2009-05-19 US disclosed
US-20060020003-A1 Biphenyloxy-acids WYETH (US) 2006-01-26 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-20060020003-A1 Biphenyloxy-acids AHR, ARNT, NR1H4 ALDH1A1 388/4885MAPK1 4608/4885MAPT 4702/4885

“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.