SCHEMBL2394087

SCHEMBL2394087

FC(F)(F)c1cc[c]c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.38
KIF11 P52732 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
ESR1 P03372 2/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HSD11B1 P28845 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
ACHE P22303 1/20 0.31
ENPP1 P22413 1/20 0.31
CYP11B2 P19099 1/20 0.30
ESR2 Q92731 1/20 0.30
PDK2 Q15119 1/20 0.30

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
SCHEMBL8691275 0.91 AR (0.35) FABP4KIF11ESR1POLBALDH1A1
SCHEMBL7105084 0.81 KIF11 (0.36) KIF11ALDH1A1TSHRHSD11B1ACHE
SCHEMBL5891289 0.81 ALDH1A1 (0.32) ALDH1A1TSHRLMNAMAPTHTT
SCHEMBL6672493 0.81 FABP4 (0.38) FABP4KIF11L3MBTL1ESR1POLB
SCHEMBL10768905 0.80 KIF11 (0.35) KIF11ALDH1A1TSHRHSD11B1NR1H2
SCHEMBL526140 0.80 FABP4 (0.37) FABP4KIF11L3MBTL1ESR1POLB
SCHEMBL1369135 0.77 KIF11 (0.39) FABP4KIF11L3MBTL1ESR1POLB
SCHEMBL4443952 0.76 FABP4 (0.35) FABP4KIF11L3MBTL1ESR1
SCHEMBL11782114 0.76
SCHEMBL15757626 0.75 LMNA (0.34) ALDH1A1LMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014085413-A1 DISUBSTITUTED OXAZOLIDIN-2-ONES 5-HYDROXYTRYPTAMINE RECEPTOR 2B ACTIVITY MODULATORS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-06-05 WO disclosed
US-8026263-B2 Methods for inhibiting neoproliferative changes in blood vessel walls THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-27 US disclosed
US-20090048270-A1 Compounds, Methods And Devices for Inhibiting Neoproliferative Changes in Blood Vessel Walls NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-02-19 US disclosed
US-20070293554-A1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-12-20 US disclosed
US-7235577-B1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-26 US disclosed
US-6803375-B1 IMMUNOMODULATION IN A MAMMALIAN PATIENT WITHOUT CAUSING SUBSTANTIAL INHIBITION OF CYTOCHROME P-450 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-10-12 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-20090048270-A1 Compounds, Methods And Devices for Inhibiting Neoproliferative Changes in Blood Vessel Walls PGF, VEGFA, MKI67 FABP4 4032/4885KIF11 2931/4885L3MBTL1 1422/4885
US-20070293554-A1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto NFATC1, ORAI1, KCNMA1 FABP4 2891/4885KIF11 4687/4885L3MBTL1 2075/4885

“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.