SCHEMBL218148

SCHEMBL218148

CCOC(=O)CCC(Oc1ccc(CCC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)c(Cl)c1Cl)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 8/20 0.36
DHODH Q02127 1/20 0.34
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 5/20 0.32
KMT2A Q03164 5/20 0.32
LMNA P02545 4/20 0.32
SLC6A4 P31645 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
NPC1 O15118 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
MTOR P42345 2/20 0.32
RAB9A P51151 2/20 0.32
CYP3A4 P08684 2/20 0.32
SLC6A2 P23975 2/20 0.32
HTR2C P28335 2/20 0.32
SLC6A3 Q01959 2/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL218147 0.90 L3MBTL1 (0.37) SLC6A9L3MBTL1HDAC6
SCHEMBL217879 0.88 HPGD (0.37) DHODHMAPTL3MBTL1MEN1KMT2A
SCHEMBL217852 0.83 KEAP1 (0.39) L3MBTL1HDAC6
SCHEMBL217980 0.81 PPARA (0.41) CYP2C9HDAC6
SCHEMBL216907 0.78 PPARA (0.33) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL217859 0.77 PPARA (0.39)
SCHEMBL218562 0.76 PTGDR2 (0.45) CYP2C9
SCHEMBL218491 0.74 ACLY (0.40) HDAC6
SCHEMBL220559 0.74 ERCC5 (0.37) HDAC6
SCHEMBL218282 0.73 MAPT (0.40) MAPTMEN1KMT2ACYP3A4CYP1A2

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-8088819-B2 Derivatives of substituted 3-phenyl-1-(phenylthienyl)propan-1-ones and of 3-phenyl-1-(phenylfuranyl) propan-1-ones, preparation and use GENFIT (FR) 2012-01-03 US disclosed
US-20100029745-A1 DERIVATIVES OF SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONES AND OF 3-PHENYL-1-(PHENYLFURANYL) PROPAN-1-ONES, PREPARATION AND USE GENFIT (FR) 2010-02-04 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-20100029745-A1 DERIVATIVES OF SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONES AND OF 3-PHENYL-1-(PHENYLFURANYL) PROPAN-1-ONES, PREPARATION AND USE TPP1, NAT1, PGC SLC6A9 4484/4885DHODH 1867/4885MAPT 580/4885

“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.