SCHEMBL4325947

SCHEMBL4325947

O=C(O)/C=C/c1cc(C(F)(F)F)ccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.50
NFKB1 P19838 1/20 0.47
PDE5A O76074 1/20 0.45
PDE9A O76083 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAOB P27338 5/20 0.44
BACE1 P56817 1/20 0.44
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
MIF P14174 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1A1 P04798 3/20 0.41
CYP1B1 Q16678 3/20 0.41
P4HB P07237 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RXRA P19793 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
SCHEMBL4325950 1.00 CES2 (0.50) CES2NFKB1PDE5APDE9AALDH1A1
SCHEMBL4783571 0.87 CES2 (0.50) CES2NFKB1PDE5APDE9AALDH1A1
SCHEMBL1953433 0.85 TDO2 (0.53) NFKB1ALDH1A1KDM4EMAOBMIF
SCHEMBL1953432 0.85 TDO2 (0.53) NFKB1ALDH1A1KDM4EMAOBMIF
SCHEMBL7814631 0.83 BACE1 (0.60) NFKB1PDE5APDE9AALDH1A1KDM4E
SCHEMBL7814628 0.83 BACE1 (0.60) NFKB1PDE5APDE9AALDH1A1KDM4E
SCHEMBL28233842 0.82 EIF2AK2 (0.47) PDE5APDE9AALDH1A1KDM4EMAOB
SCHEMBL3708007 0.82 ALDH1A1 (0.50) NFKB1PDE5APDE9AALDH1A1KDM4E
SCHEMBL3708005 0.82 ALDH1A1 (0.50) NFKB1PDE5APDE9AALDH1A1KDM4E
SCHEMBL584623 0.80 MIF (0.63) PDE5APDE9AALDH1A1KDM4EMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585997-B2 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof CHESTERFORD ENTERPRISES LIMITED (KY) 2009-09-08 US disclosed
EP-1709155-A4 COMPOUNDS AND COMPOSITIONS FOR TREATING DYSPROLIFERATIVE DISEASES, AND METHODS OF USE THEREOF KASHFI KHOSROW (US) 2007-10-31 EP disclosed
EP-1709155-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING DYSPROLIFERATIVE DISEASES, AND METHODS OF USE THEREOF Kashfi, Khosrow (US) 2006-10-11 EP disclosed
US-20050182134-A1 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof CONVERSANT INTELLECTUAL PROPERTY MANAGEMENT INC. (CA) 2005-08-18 US disclosed
WO-2005065361-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING DYSPROLIFERATIVE DISEASES, AND METHODS OF USE THEREOF KASHFI KHOSROW (US) 2005-07-21 WO disclosed
US-20040087798-A1 Novel amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 US disclosed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP 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-20050182134-A1 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof PYGL, TP53, MKI67 CES2 2702/4885NFKB1 1335/4885PDE5A 818/4885
US-20040087798-A1 Novel amide compounds H1-2, H1-0, H1-3 CES2 2772/4885NFKB1 2346/4885PDE5A 3879/4885

“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.