SCHEMBL14007441

SCHEMBL14007441

COc1ccc2nc(-c3cc(OC)c(OC)c(OC)c3)cc(C(=O)N[C@H](CCO)Cc3c[nH]c4ccccc34)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.49
ICAM1 P05362 1/20 0.49
ITGAL P20701 1/20 0.49
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 3/20 0.46
KDM4E B2RXH2 4/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
ATM Q13315 1/20 0.44
PLA2G2A P14555 1/20 0.44
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
UBE2I P63279 1/20 0.42

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
SCHEMBL14007419 1.00 ITGB2 (0.49) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL5152256 0.94 ITGB2 (0.50) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL5149298 0.89 ITGB2 (0.63) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL5149314 0.89 ITGB2 (0.63) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL14007426 0.89 MEN1 (0.47) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL5155674 0.88 MAPT (0.51) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL5155672 0.88 MAPT (0.51) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL5155685 0.88 MAPT (0.51) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL14557571 0.88 ITGB2 (0.50) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL14007445 0.88 PLA2G2A (0.49) MEN1KMT2AALDH1A1L3MBTL1MAPT

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
US-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS BAYER SCHERING PHARMA AG (DE) 2008-11-20 US disclosed
US-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS BAYER SCHERING PHARMA AG (DE) 2008-11-20 US disclosed
EP-1985612-A1 Arymethylen substituted N-Acyl-gamma-aminoalcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-10-29 EP 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-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS FSHR, CYP19A1, GNRHR ITGB2 3258/4885ICAM1 4246/4885ITGAL 2713/4885

“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.