SCHEMBL4931481

SCHEMBL4931481

CC(C)Oc1ccc(C#Cc2ccc(C(=O)NCCCCCO)cc2)cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 1/20 0.41
SIRT1 Q96EB6 3/20 0.41
ACHE P22303 2/20 0.40
BCHE P06276 1/20 0.40
HDAC3 O15379 7/20 0.40
HDAC1 Q13547 7/20 0.40
HDAC2 Q92769 7/20 0.40
NCOR2 Q9Y618 3/20 0.40
ALOX5 P09917 1/20 0.40
EPHX2 P34913 1/20 0.40
HDAC6 Q9UBN7 2/20 0.40
CDK4 P11802 3/20 0.40
CCND1 P24385 3/20 0.40
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39

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
SCHEMBL4734711 0.99 MEN1 (0.46) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL4738734 0.97 MEN1 (0.46) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL4735529 0.94 MEN1 (0.47) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL4737571 0.93 MEN1 (0.44) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL4737692 0.91 MEN1 (0.46) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL4737561 0.91 ALOX5 (0.48) MEN1KMT2ANPC1RAB9AHDAC3
SCHEMBL14161956 0.91 MEN1 (0.42) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL4736991 0.91 MEN1 (0.46) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL14079284 0.90 CDK4 (0.47) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL4738871 0.90 CYP2D6 (0.42) MEN1KMT2ANPC1RAB9APOLB

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-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 US claimed
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 US disclosed
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 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-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 MEN1 188/4885KMT2A 715/4885NPC1 2711/4885

“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.