SCHEMBL4603018

SCHEMBL4603018

CCOc1ccc(-c2ccc(OC)c(OC)c2)cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 3/20 0.55
HPGD P15428 2/20 0.55
ALDH1A1 P00352 1/20 0.55
THRB P10828 1/20 0.55
KDM4E B2RXH2 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TLR8 Q9NR97 1/20 0.48
TLR7 Q9NYK1 1/20 0.48
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
HDAC3 O15379 4/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC2 Q92769 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC4 P56524 3/20 0.47
HDAC7 Q8WUI4 3/20 0.47
HDAC10 Q969S8 3/20 0.47
HDAC11 Q96DB2 3/20 0.47

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
SCHEMBL5155452 0.94 KMT2A (0.49) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL14557759 0.94 KMT2A (0.59) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL14557605 0.93 MAPT (0.48) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL5149380 0.93 KMT2A (0.53) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL5151440 0.92 HDAC3 (0.47) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL14610493 0.92 CDK4 (0.52) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL14557636 0.92 CDK4 (0.52) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL14557598 0.92 MAPT (0.49) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL14557604 0.91 KMT2A (0.46) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL4602417 0.91 MMP2 (0.53) KMT2AMAPTMEN1HPGDALDH1A1

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 7 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
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP 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
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R KMT2A 916/4885MAPT 4047/4885MEN1 410/4885

“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.