SCHEMBL2615470

SCHEMBL2615470

CC(C)(Oc1ccc(F)cc1)C(=O)OCCCOC(=O)c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
KMT2A Q03164 9/20 0.54
ATM Q13315 1/20 0.54
LMNA P02545 5/20 0.54
MAPT P10636 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
HPGD P15428 1/20 0.52
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
THRB P10828 1/20 0.46
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
NPC1 O15118 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
Ronifibrate SCHEMBL48852 0.89 L3MBTL1 (0.59) L3MBTL1KMT2ALMNAMAPTALDH1A1
Simfibrate SCHEMBL5808862 0.89 L3MBTL1 (0.59) L3MBTL1KMT2ALMNAMAPTALDH1A1
SCHEMBL10973734 0.85 L3MBTL1 (0.55) L3MBTL1KMT2AATMLMNAMAPT
SCHEMBL13284411 0.85 L3MBTL1 (0.52) L3MBTL1KMT2AATMLMNAMAPT
Etofibrate SCHEMBL29801484 0.84 L3MBTL1 (0.55) L3MBTL1KMT2ALMNAMAPTALDH1A1
Etofibrate SCHEMBL3122 0.84 L3MBTL1 (0.55) L3MBTL1KMT2ALMNAMAPTALDH1A1
Etofibrate SCHEMBL8168409 0.84 L3MBTL1 (0.55) L3MBTL1KMT2ALMNAMAPTALDH1A1
Etofibrate SCHEMBL1649349 0.83 L3MBTL1 (0.54) L3MBTL1KMT2ALMNAMAPTALDH1A1
SCHEMBL13284875 0.82 PPARA (0.53) KMT2AMAPTMEN1CYP1A2TSHR
SCHEMBL13284409 0.80 L3MBTL1 (0.50) L3MBTL1KMT2ALMNAMAPTALDH1A1

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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 US disclosed
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 US disclosed
WO-2010081036-A2 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-07-15 WO 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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS L3MBTL1 739/4885KMT2A 1417/4885ATM 1851/4885

“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.