SCHEMBL4979327

SCHEMBL4979327

COc1ccc(-c2ccc(OCCCCCOc3cccc(N(S)C(N)=O)c3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
MTNR1A P48039 9/20 0.44
MTNR1B P49286 9/20 0.44
HDAC3 O15379 3/20 0.42
HDAC4 P56524 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
PARP1 P09874 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
PLA2G4B P0C869 1/20 0.40
LTB4R Q15722 1/20 0.40

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
SCHEMBL4981179 0.96 MTNR1A (0.46) MTNR1AMTNR1BPLA2G4B
SCHEMBL3978016 0.91 FFAR4 (0.48) FFAR4MTNR1AMTNR1BPLA2G4B
SCHEMBL3976352 0.91 HDAC1 (0.50) FFAR1FFAR4MTNR1AMTNR1BHDAC3
SCHEMBL3978338 0.91 HDAC1 (0.50) FFAR1FFAR4MTNR1AMTNR1BHDAC3
SCHEMBL3978603 0.91 HDAC1 (0.50) FFAR1FFAR4MTNR1AMTNR1BHDAC3
SCHEMBL3981848 0.90 MTNR1A (0.48) MTNR1AMTNR1B
SCHEMBL3977185 0.89 FFAR4 (0.49) FFAR1FFAR4MTNR1AMTNR1BHDAC3
SCHEMBL4980205 0.88 L3MBTL1 (0.43) FFAR4MTNR1AMTNR1BLTB4R
SCHEMBL4980189 0.88 MTNR1A (0.42) FFAR1FFAR4MTNR1AMTNR1BHDAC3
SCHEMBL4981126 0.88 MTNR1A (0.42) FFAR1FFAR4MTNR1AMTNR1BHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 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 (2 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-20080096875-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, ETV6 FFAR1 4224/4885FFAR4 3904/4885MTNR1A 4535/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 FFAR1 4071/4885FFAR4 4050/4885MTNR1A 4383/4885

“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.