SCHEMBL15955591

SCHEMBL15955591

CCOC(=O)CC(c1ccc(OC)cc1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
HPGD P15428 1/20 0.46
THRB P10828 2/20 0.45
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
CES2 O00748 1/20 0.42
ACHE P22303 1/20 0.42
CES1 P23141 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL17404832 0.88 KDM4E (0.43) ALOX15THRBALDH1A1KMT2AGAA
SCHEMBL30788989 0.85 LMNA (0.43) ALOX15HPGDALDH1A1KMT2AGAA
SCHEMBL8802851 0.85 L3MBTL1 (0.48) ALDH1A1KMT2AL3MBTL1POLBKDM4E
SCHEMBL9178718 0.85 TSHR (0.48) ALDH1A1KMT2APOLBNPC1
SCHEMBL21275438 0.82 HTT (0.45) ALDH1A1GAAL3MBTL1POLBKDM4E
SCHEMBL9353288 0.81 FFAR1 (0.52) HPGDKMT2AGAAL3MBTL1ATM
SCHEMBL9391256 0.81 HPGD (0.57) ALOX15HPGDTHRBKMT2AGAA
SCHEMBL16509661 0.81 ALOX15 (0.55) ALOX15HPGDTHRBALDH1A1KMT2A
SCHEMBL12430380 0.81 ALOX15 (0.55) ALOX15HPGDTHRBALDH1A1KMT2A
SCHEMBL13573006 0.81 ALOX15 (0.55) ALOX15HPGDTHRBALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856275-B2 Synthesis and use of fluorinated compounds THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-01-02 US disclosed
US-20160002270-A1 SYNTHESIS AND USE OF FLUORINATED COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 US disclosed
US-20160002270-A1 SYNTHESIS AND USE OF FLUORINATED COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 US disclosed
WO-2014126990-A1 SYNTHESIS AND USE OF FLUORINATED COMPOUNDS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-08-21 WO disclosed
WO-2014126990-A1 SYNTHESIS AND USE OF FLUORINATED COMPOUNDS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-08-21 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-20160002270-A1 SYNTHESIS AND USE OF FLUORINATED COMPOUNDS AFF2, AFF4, AFF1 ALOX15 1401/4885HPGD 3955/4885THRB 3440/4885

“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.