SCHEMBL14564892

SCHEMBL14564892

COc1ccc(-c2cc(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)cc(-c3cc(OC)c(OC)c(OC)c3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.55
CCND1 P24385 3/20 0.55
HDAC3 O15379 9/20 0.53
HDAC1 Q13547 9/20 0.53
HDAC2 Q92769 9/20 0.53
HDAC6 Q9UBN7 4/20 0.52
HDAC4 P56524 3/20 0.52
HDAC7 Q8WUI4 3/20 0.52
HDAC10 Q969S8 3/20 0.52
HDAC11 Q96DB2 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC9 Q9UKV0 3/20 0.52
HDAC5 Q9UQL6 3/20 0.52
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
MAPT P10636 1/20 0.48
NCOR2 Q9Y618 1/20 0.48

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
SCHEMBL5152568 0.93 CDK4 (0.53) CDK4CCND1HDAC3HDAC1HDAC2
SCHEMBL14557869 0.91 HDAC3 (0.50) CDK4CCND1HDAC3HDAC1HDAC2
SCHEMBL14557851 0.90 HDAC3 (0.51) CDK4CCND1HDAC3HDAC1HDAC2
SCHEMBL14564905 0.89 KMT2A (0.46) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL5155523 0.88 TACR1 (0.51) CDK4CCND1HDAC3HDAC1HDAC2
SCHEMBL14557757 0.88 KMT2A (0.52) CDK4CCND1HDAC3HDAC1HDAC2
SCHEMBL14564888 0.87 KMT2A (0.47) CDK4CCND1HDAC3HDAC1HDAC2
SCHEMBL14564847 0.87 TACR1 (0.47) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL14557875 0.87 KMT2A (0.49) CDK4CCND1HDAC3HDAC1HDAC2
SCHEMBL14557855 0.85 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC6HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CDK4 4400/4885CCND1 592/4885HDAC3 736/4885

“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.