SCHEMBL5173559

SCHEMBL5173559

Cc1cc(C)c2c(c1)C(CCO)CCC2

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.60
KDM4C Q9H3R0 1/20 0.46
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL15286569 0.88 UGT2B17 (0.62) UGT2B17KDM4CSIGMAR1HTT
SCHEMBL15825377 0.81 UGT2B17 (0.57) UGT2B17KDM4CSIGMAR1
SCHEMBL5174356 0.78 UGT2B17 (0.53) UGT2B17KDM4CSIGMAR1
SCHEMBL7943891 0.77 UGT2B17 (0.46) UGT2B17KDM4C
SCHEMBL15286607 0.76 KDM4C (0.52) UGT2B17KDM4CSIGMAR1
SCHEMBL5474630 0.76 UGT2B17 (0.51) UGT2B17KDM4CCYP11B1CYP11B2SIGMAR1
SCHEMBL7951928 0.76 MTNR1A (0.57) UGT2B17KDM4C
SCHEMBL6799194 0.75 UGT2B17 (1.00) UGT2B17KDM4CCYP11B1CYP11B2SIGMAR1
SCHEMBL5272877 0.72 UGT2B17 (0.62) UGT2B17KDM4CCYP11B1CYP11B2SIGMAR1
SCHEMBL30831935 0.72 UGT2B17 (0.62) UGT2B17KDM4CCYP11B1CYP11B2SIGMAR1

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 UGT2B17 500/4885KDM4C 3261/4885CYP11B1 150/4885

“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.