SCHEMBL5174599

SCHEMBL5174599

CCC1(CC=O)CCOc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.38
KMT2A Q03164 2/20 0.34
MAP3K14 Q99558 1/20 0.34
POLB P06746 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
KIF11 P52732 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LDHA P00338 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.31
CRHBP P24387 1/20 0.31
HTT P42858 1/20 0.31
CRHR2 Q13324 1/20 0.31

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
SCHEMBL5175512 0.89 KIF11 (0.34) NR3C1KMT2AMAP3K14ITGB2ICAM1
SCHEMBL8089568 0.86 ITGB2 (0.41) NR3C1KMT2AMAP3K14ITGB2ICAM1
SCHEMBL6124712 0.80 MAP3K14 (0.39) NR3C1KMT2AMAP3K14ITGB2ICAM1
SCHEMBL3428659 0.79 KMT2A (0.36) KMT2AITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL5173687 0.78 KMT2A (0.35) KMT2AITGB2ICAM1ITGALKIF11
SCHEMBL5173976 0.78 NR3C1 (0.38) NR3C1KMT2AMAP3K14ITGB2ICAM1
SCHEMBL5474798 0.76 NR3C1 (0.48) NR3C1KMT2AMAP3K14KIF11
SCHEMBL7671149 0.75 ITGB2 (0.38) KMT2AMAP3K14ITGB2ICAM1ITGAL
SCHEMBL25871757 0.73 ITGB2 (0.41) KMT2AMAP3K14ITGB2ICAM1ITGAL
SCHEMBL5467643 0.71 NR3C1 (0.41) NR3C1KMT2AMAP3K14KIF11SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101160305-A Substituted chroman derivatives, method for the production and the use thereof in the form of antiphlogistics SCHERING AG (DE) 2008-04-09 CN disclosed
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 NR3C1 83/4885KMT2A 4398/4885MAP3K14 1165/4885

“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.