SCHEMBL5474384

SCHEMBL5474384

C=CC(O)(CC1CCCc2c(OC)cccc21)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.47
SIGMAR1 Q99720 8/20 0.46
HTR1A P08908 1/20 0.45
SLC6A4 P31645 1/20 0.45
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
ABCB1 P08183 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2A P08913 1/20 0.43
CHRM1 P11229 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
KCNH2 Q12809 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43

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
SCHEMBL5471655 0.89 NR3C1 (0.49) NR3C1SIGMAR1HTR1ASLC6A4
SCHEMBL5478308 0.77 TRPV1 (0.41) NR3C1SIGMAR1
SCHEMBL5471002 0.75 SIGMAR1 (0.50) SIGMAR1HTR1ASLC6A4CHRM2CHRM4
SCHEMBL8019430 0.75 SIGMAR1 (0.57) SIGMAR1HTR1ACHRM2CHRM4ABCB1
SCHEMBL8811492 0.75 SIGMAR1 (0.57) SIGMAR1HTR1ACHRM2CHRM4ABCB1
SCHEMBL5477157 0.74 NR3C1 (0.43) NR3C1SIGMAR1HTR1ACHRM2CHRM4
SCHEMBL5474457 0.74 UGT2B17 (0.46) NR3C1
SCHEMBL5477879 0.74 SIGMAR1 (0.60) SIGMAR1HTR1ACHRM2CHRM4ABCB1
SCHEMBL15839894 0.73 SIGMAR1 (0.57) SIGMAR1CHRM2CHRM4ABCB1CHRM5
SCHEMBL15286771 0.73 SIGMAR1 (0.57) SIGMAR1CHRM2CHRM4ABCB1CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents SCHERING AG (DE) 2007-06-07 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-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents TNF, CXCL8, MPO NR3C1 83/4885SIGMAR1 1559/4885HTR1A 660/4885

“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.