SCHEMBL13400007

SCHEMBL13400007

O=Cc1ccc(OCOc2ccc(C=O)cc2C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.44
KIF11 P52732 1/20 0.42
ALDH1A1 P00352 9/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 3/20 0.39
AOX1 Q06278 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 3/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRM5 P41594 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL11991676 0.91 FDPS (0.46) FDPSKIF11ALDH1A1TSHRHPGD
SCHEMBL16403513 0.83 APP (0.46) FDPSKIF11ALDH1A1TSHRHPGD
SCHEMBL3956772 0.82 MAOA (0.52) ALDH1A1KDM4EPOLBRXRARXRB
SCHEMBL512997 0.81 ALDH1A1 (0.61) FDPSKIF11ALDH1A1TSHRHPGD
SCHEMBL13138604 0.81 TACR2 (0.50) ALDH1A1RXRARXRBRXRGMEN1
SCHEMBL856364 0.81 RXRA (0.59) ALDH1A1RXRARXRBRXRGMEN1
SCHEMBL2697140 0.78 ESRRA (0.53) FDPSALDH1A1HPGDPOLBRXRA
SCHEMBL13858759 0.78 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EPOLBRXRA
SCHEMBL1300604 0.77 HPGD (0.42) FDPSKIF11ALDH1A1TSHRHPGD
SCHEMBL1299738 0.77 HPGD (0.66) FDPSHPGD

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-20150072997-A1 ANTI-MALARIAL COMPOUNDS POLYMEDIX, INC. 2015-03-12 US disclosed
US-8796275-B2 Anti-malarial compounds THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-08-05 US disclosed
US-20100081665-A1 Anti-Malarial Compounds CELLCEUTIX CORPORATION 2010-04-01 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-20100081665-A1 Anti-Malarial Compounds AADAC, ME2, HTRA2 FDPS 499/4885KIF11 2486/4885ALDH1A1 941/4885
US-20150072997-A1 ANTI-MALARIAL COMPOUNDS AADAC, ME2, HTRA2 FDPS 499/4885KIF11 2486/4885ALDH1A1 941/4885

“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.