SCHEMBL2400474

SCHEMBL2400474

CCCOC(=O)Cc1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
CYP4Z1 Q86W10 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP19A1 P11511 1/20 0.45

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
SCHEMBL18198264 0.90 KMT2A (0.56) KMT2AMEN1CYP1A2CYP2C9ALDH1A1
SCHEMBL4679065 0.89 HPGD (0.53) KMT2AMEN1HPGDCYP1A2ALDH1A1
SCHEMBL1107146 0.86 CYP4Z1 (0.57) KMT2AMEN1HPGDCYP1A2CYP2C9
SCHEMBL13763457 0.86 NAAA (0.53) KMT2AHPGDCYP1A2ALDH1A1TSHR
SCHEMBL5542953 0.85 ALDH1A1 (0.46) CYP1A2ALDH1A1GAACYP4Z1TSHR
SCHEMBL1885468 0.85 ALDH1A1 (0.58) HPGDCYP1A2ALDH1A1GAATSHR
SCHEMBL10174343 0.85 KMT2A (0.51) KMT2AMEN1CYP1A2CYP2C9ALDH1A1
SCHEMBL17968278 0.85 KMT2A (0.43) KMT2AMEN1HPGDCYP1A2CYP2C9
SCHEMBL10467736 0.84 CYP4F2 (0.50) KMT2AMEN1HPGDCYP1A2CYP2C9
SCHEMBL27365290 0.84 KMT2A (0.48) KMT2AMEN1CYP1A2CYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252559-B2 Methods and systems for selective fluorination of organic molecules THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-08-28 US disclosed
US-8252559-B2 Methods and systems for selective fluorination of organic molecules THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-08-28 US disclosed
US-8252559-B2 Methods and systems for selective fluorination of organic molecules THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-08-28 US disclosed
US-8026085-B2 Methods and systems for selective fluorination of organic molecules CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-09-27 US disclosed
US-8026085-B2 Methods and systems for selective fluorination of organic molecules CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-09-27 US disclosed
US-8026085-B2 Methods and systems for selective fluorination of organic molecules CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-09-27 US disclosed
US-20090209010-A1 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-08-20 US disclosed
US-20090209010-A1 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-08-20 US disclosed
US-20090209010-A1 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-08-20 US disclosed
EP-2069513-A2 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES California Institute of Technology (US) 2009-06-17 EP disclosed
US-20090061471-A1 Methods and systems for selective fluorination of organic molecules INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2009-03-05 US disclosed
US-20090061471-A1 Methods and systems for selective fluorination of organic molecules INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2009-03-05 US disclosed
US-20090061471-A1 Methods and systems for selective fluorination of organic molecules INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2009-03-05 US disclosed
WO-2008016709-A9 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INST OF TECHN (US) 2008-05-29 WO disclosed
WO-2008016709-A2 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-02-07 WO disclosed