SCHEMBL5389110

SCHEMBL5389110

CC(=O)Oc1cc(Cl)c(Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.45
CYP3A4 P08684 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 2/20 0.45
CES2 O00748 1/20 0.45
ABCB11 O95342 1/20 0.45
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
TBXA2R P21731 1/20 0.45
AADAC P22760 1/20 0.45
CYP2C19 P33261 1/20 0.45
ADRA1A P35348 1/20 0.45
HTT P42858 1/20 0.45
HTR6 P50406 1/20 0.45

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
SCHEMBL5388191 0.85 TDP1 (0.42) ARCYP3A4ALDH1A1LMNAMAPK1
SCHEMBL5382654 0.82 TDP1 (0.43) ARCYP3A4ALDH1A1LMNAMAPK1
SCHEMBL5388193 0.81 THRB (0.46) ARCYP3A4ALDH1A1LMNAMAPK1
SCHEMBL7121943 0.78 MEN1 (0.49) ALDH1A1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL7151785 0.78 AR (0.42) ARCYP3A4ALDH1A1LMNAMAPK1
SCHEMBL9493313 0.77 SIRT6 (0.49) ARCYP3A4ALDH1A1LMNAMAPK1
SCHEMBL1857266 0.76 MAPK1 (0.51) CYP3A4ALDH1A1LMNAMAPK1CYP1A2
SCHEMBL11648092 0.75 MEN1 (0.54) CYP3A4ALDH1A1LMNAMAPK1CYP1A2
SCHEMBL3663641 0.75 AR (0.45) ARCYP3A4ALDH1A1LMNAMAPK1
SCHEMBL11410600 0.75 AR (0.54) ARCYP3A4ALDH1A1LMNAMAPK1

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-7199265-B2 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones KARO BIO AB (SE) 2007-04-03 US disclosed
US-20040097589-A1 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones KARO BIO AB (SE) 2004-05-20 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-20040097589-A1 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones TSHR, THRA, THRB AR 601/4885CYP3A4 945/4885ALDH1A1 1046/4885

“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.