SCHEMBL5175486

SCHEMBL5175486

COc1cccc2c1CCCC2CC=O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.55
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
ABCB1 P08183 1/20 0.50
CHRM5 P08912 1/20 0.50
ADRA2A P08913 1/20 0.50
CHRM1 P11229 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
CHRM3 P20309 1/20 0.50
KCNH2 Q12809 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50

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
Hydrochloric Acid SCHEMBL9328226 0.83 SIGMAR1 (0.56) SIGMAR1CA1CA2CHRM2CHRM4
Hydrochloric Acid SCHEMBL8809245 0.83 SIGMAR1 (0.56) SIGMAR1CA1CA2CHRM2CHRM4
Hydrochloric Acid SCHEMBL8811592 0.83 SIGMAR1 (0.56) SIGMAR1CA1CA2CHRM2CHRM4
SCHEMBL9520305 0.83 SIGMAR1 (0.55) SIGMAR1CA1CA2
SCHEMBL7777522 0.82 SIGMAR1 (0.57) SIGMAR1
SCHEMBL9549201 0.81 SIGMAR1 (0.57) SIGMAR1CA1CA2CHRM2CHRM4
SCHEMBL8019430 0.81 SIGMAR1 (0.57) SIGMAR1CHRM2CHRM4ABCB1CHRM5
SCHEMBL15839894 0.81 SIGMAR1 (0.57) SIGMAR1CA1CA2CHRM2CHRM4
SCHEMBL15286771 0.81 SIGMAR1 (0.57) SIGMAR1CHRM2CHRM4ABCB1CHRM5
SCHEMBL8811492 0.81 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869013-A1 SUBSTITUTED CHROMAN DERIVATIVES, METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF ANTIPHLOGISTICS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-26 EP disclosed
US-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents SCHERING AG (DE) 2007-06-07 US disclosed
WO-2006108711-A1 SUBSTITUTED CHROMAN DERIVATIVES, METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF ANTIPHLOGISTICS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-19 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 (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 SIGMAR1 1559/4885CA1 3923/4885CA2 3273/4885

“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.