SCHEMBL4601319

SCHEMBL4601319

CCCOc1ccc(-c2c(C)noc2C)cc1C(=O)N[C@@H](CO)Cc1cn(C)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.39
BRD2 P25440 3/20 0.39
BRD3 Q15059 3/20 0.39
HDAC3 O15379 10/20 0.37
HDAC1 Q13547 10/20 0.37
HDAC4 P56524 9/20 0.37
HDAC7 Q8WUI4 9/20 0.37
HDAC2 Q92769 9/20 0.37
HDAC10 Q969S8 9/20 0.37
HDAC11 Q96DB2 9/20 0.37
HDAC8 Q9BY41 9/20 0.37
HDAC6 Q9UBN7 9/20 0.37
HDAC9 Q9UKV0 9/20 0.37
HDAC5 Q9UQL6 9/20 0.37
MAPK1 P28482 1/20 0.37
FTO Q9C0B1 1/20 0.37
CNR2 P34972 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35

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
SCHEMBL14557667 0.86 PPARG (0.42) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL14557712 0.85 KDM4E (0.38) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL14557950 0.84 PPARG (0.41) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL5155947 0.84 CNR2 (0.40) BRD4BRD2BRD3HDAC3HDAC1
SCHEMBL5155937 0.84 CNR2 (0.40) BRD4BRD2BRD3HDAC3HDAC1
SCHEMBL14557669 0.84 PPARG (0.43) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL5155943 0.84 BRD4 (0.39) BRD4BRD2BRD3HDAC3HDAC1
SCHEMBL14557677 0.83 MAPK1 (0.41) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL14557678 0.83 PPARG (0.39) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL14557718 0.83 KDM4E (0.40) HDAC3HDAC1HDAC4HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP claimed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO 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

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 BRD4 3122/4885BRD2 3396/4885BRD3 2859/4885

“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.