SCHEMBL5622385

SCHEMBL5622385

O=Cc1cc(-c2ccc(Cl)cc2Cl)ccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
ERN1 O75460 5/20 0.40
MARS1 P56192 1/20 0.40
AHR P35869 1/20 0.38
ANO1 Q5XXA6 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SRD5A2 P31213 1/20 0.37
EPAS1 Q99814 1/20 0.36
TTR P02766 1/20 0.35
XDH P47989 1/20 0.35
KMO O15229 2/20 0.35
ACLY P53396 1/20 0.35
RORC P51449 1/20 0.34
NOTUM Q6P988 1/20 0.34

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
SCHEMBL4598990 0.88 ERN1 (0.40) ERN1ALDH1A1MAPTEPAS1KMO
SCHEMBL4600254 0.88 ERN1 (0.40) TDP1ERN1ANO1EPAS1XDH
SCHEMBL5622410 0.84 ERN1 (0.48) TDP1ERN1ANO1ALDH1A1MAPT
SCHEMBL32682731 0.84 ERN1 (0.47) TDP1ERN1ANO1ALDH1A1EPAS1
SCHEMBL20303480 0.84 ERN1 (0.47) TDP1ERN1ANO1ALDH1A1EPAS1
SCHEMBL4600016 0.84 AR (0.34) ERN1KMO
SCHEMBL867818 0.82 TDP1 (0.39) TDP1ERN1MARS1AHRALDH1A1
SCHEMBL14609760 0.81 GRIN2B (0.38) ERN1KMONOTUM
SCHEMBL14499539 0.79 FFAR1 (0.44) MARS1AHRANO1SRD5A2RORC
SCHEMBL5620852 0.77 PIM1 (0.43) ERN1ALDH1A1MAPTEPAS1TTR

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-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 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-20070149570-A1 Piperidine derivative and use thereof TACR1, OPRL1, TRPV1 TDP1 4854/4885ERN1 4124/4885MARS1 4218/4885

“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.