SCHEMBL6370641

SCHEMBL6370641

CC(C)(C)c1ccc2ccc(OCC(F)(F)F)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP17A1 P05093 3/20 0.36
CYP3A4 P08684 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KIF11 P52732 1/20 0.34
KDM4E B2RXH2 1/20 0.34
IL1B P01584 1/20 0.34
PDE10A Q9Y233 1/20 0.34
LTB4R Q15722 1/20 0.34
KCNH2 Q12809 2/20 0.33
SCN7A Q01118 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NUDT1 P36639 1/20 0.33
MAT2A P31153 1/20 0.33

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
SCHEMBL16705084 0.81 CYP1A2 (0.46) HPGDSL3MBTL1CYP17A1HDAC1HDAC8
SCHEMBL6468609 0.79 MTNR1A (0.37) HPGDSL3MBTL1CYP17A1HDAC1HDAC8
SCHEMBL23993199 0.78 THRB (0.43) HPGDSL3MBTL1CYP17A1HDAC1HDAC8
SCHEMBL30224786 0.78 THRB (0.43) HPGDSL3MBTL1CYP17A1HDAC1HDAC8
SCHEMBL6607250 0.76 MEN1 (0.51) L3MBTL1HDAC1HDAC8HDAC6PDE10A
SCHEMBL12255679 0.76 L3MBTL1 (0.53) L3MBTL1CYP2C9CYP2C19KDM4ESMN1; SMN2
SCHEMBL19497540 0.74 EPHX2 (0.41) L3MBTL1HDAC1HDAC8HDAC6KIF11
SCHEMBL20272 0.72 KDM4E (0.42) KDM4ESMN1; SMN2
SCHEMBL23995366 0.72 SLC6A4 (0.38) HPGDSL3MBTL1HDAC1HDAC8HDAC6
SCHEMBL20347950 0.71 KDM4E (0.42) L3MBTL1CYP2C9CYP2C19KIF11KDM4E

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-9029377-B2 Platelet-activating factor receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-05-12 US disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 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-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS PTAFR, PAFAH1B2, PAFAH1B3 HPGDS 23/4885L3MBTL1 4449/4885CYP17A1 3432/4885

“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.