SCHEMBL5149246

SCHEMBL5149246

COc1ccc(-c2ccc(OC)c(OC)c2)c(C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.55
ICAM1 P05362 1/20 0.55
ITGAL P20701 1/20 0.55
KMT2A Q03164 6/20 0.54
MEN1 O00255 4/20 0.54
MAPT P10636 3/20 0.54
HPGD P15428 2/20 0.54
ALDH1A1 P00352 1/20 0.54
THRB P10828 1/20 0.54
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CDK4 P11802 3/20 0.51
CCND1 P24385 3/20 0.51
HDAC3 O15379 4/20 0.49
HDAC1 Q13547 4/20 0.49
HDAC2 Q92769 4/20 0.49
HDAC6 Q9UBN7 3/20 0.49
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
HDAC4 P56524 2/20 0.46

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
SCHEMBL5151134 0.93 ITGB2 (0.53) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL4601918 0.91 ITGB2 (0.55) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL5149292 0.91 CDK4 (0.60) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL4600887 0.91 KMT2A (0.57) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL5149305 0.90 ITGB2 (0.56) ITGB2ICAM1ITGALKMT2ACDK4
SCHEMBL5149369 0.90 ITGB2 (0.57) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL5151358 0.88 ITGB2 (0.55) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL5152530 0.87 ITGB2 (0.55) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL14557759 0.87 KMT2A (0.59) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL5151054 0.87 ITGB2 (0.54) ITGB2ICAM1ITGALKMT2AMEN1

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
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R ITGB2 4080/4885ICAM1 4413/4885ITGAL 4079/4885

“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.