SCHEMBL5865834

SCHEMBL5865834

OC(c1ccc2ccccc2c1)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.57
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ATM Q13315 1/20 0.49
SLC6A2 P23975 10/20 0.47
SLC6A4 P31645 10/20 0.47
SLC6A3 Q01959 10/20 0.47
CYP2D6 P10635 3/20 0.47
GABBR2 O75899 1/20 0.46
GABBR1 Q9UBS5 1/20 0.46
KCNH2 Q12809 4/20 0.45
AOC3 Q16853 1/20 0.45
CYP1A2 P05177 1/20 0.45
TSHR P16473 1/20 0.45
HIF1A Q16665 1/20 0.45
CYP3A4 P08684 1/20 0.45
PTPN1 P18031 1/20 0.42

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
SCHEMBL16567657 1.00 UGT2B7 (0.57) UGT2B7MEN1KMT2AATMSLC6A2
SCHEMBL30559175 1.00 UGT2B7 (0.57) UGT2B7MEN1KMT2AATMSLC6A2
SCHEMBL5865842 0.88 UGT2B7 (0.57) UGT2B7MEN1KMT2AATMSLC6A2
SCHEMBL10333976 0.81 ESR1 (0.45) UGT2B7CYP1A2TSHRHIF1ACYP3A4
SCHEMBL11358484 0.80 UGT2B7 (0.57) UGT2B7MEN1KMT2AATMSLC6A2
SCHEMBL14405124 0.79 UGT2B7 (0.50) UGT2B7MEN1KMT2AATMSLC6A2
SCHEMBL10333407 0.79 ABCB11 (0.51) GABBR2GABBR1CYP1A2TSHR
SCHEMBL306953 0.78 ABCB11 (0.54) GABBR2GABBR1CYP1A2TSHR
SCHEMBL29415272 0.77 CYP2D6 (0.50) UGT2B7MEN1KMT2AATMSLC6A2
SCHEMBL2849998 0.77 CYP2D6 (0.50) UGT2B7MEN1KMT2AATMSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087789-B2 Methods for nucleophilic fluoromethylation UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2006-08-08 US claimed
US-20040230079-A1 Methods for nucleophilic fluoromethylation SOUTHERN CALIFORNIA, UNIVERSITY OF 2004-11-18 US claimed
WO-2004063129-A2 METHODS FOR NUCLEOPHILIC FLUOROMETHYLATION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2004-07-29 WO claimed
US-9359277-B2 Compositions and processes of preparing and using the same PURDUE RESEARCH FOUNDATION (US) 2016-06-07 US disclosed
US-9359277-B2 Compositions and processes of preparing and using the same PURDUE RESEARCH FOUNDATION (US) 2016-06-07 US disclosed
US-20140039182-A1 COMPOSITIONS AND PROCESSES OF PREPARING AND USING THE SAME PURDUE RESEARCH FOUNDATION 2014-02-06 US disclosed
US-20140039182-A1 COMPOSITIONS AND PROCESSES OF PREPARING AND USING THE SAME PURDUE RESEARCH FOUNDATION 2014-02-06 US disclosed
US-7087789-B2 Methods for nucleophilic fluoromethylation UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2006-08-08 US disclosed
US-20040230079-A1 Methods for nucleophilic fluoromethylation SOUTHERN CALIFORNIA, UNIVERSITY OF 2004-11-18 US disclosed
WO-2004063129-A2 METHODS FOR NUCLEOPHILIC FLUOROMETHYLATION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2004-07-29 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 (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-20040230079-A1 Methods for nucleophilic fluoromethylation PHF2, HAO2, GSTM2 UGT2B7 3885/4885MEN1 4364/4885KMT2A 1266/4885
US-20140039182-A1 COMPOSITIONS AND PROCESSES OF PREPARING AND USING THE SAME DBF4, FAU, DHX29 UGT2B7 1362/4885MEN1 174/4885KMT2A 1887/4885

“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.