SCHEMBL16626141

SCHEMBL16626141

FC(F)(c1ccccc1)C(F)(F)c1ccc(OCC2CO2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.73
MEN1 O00255 2/20 0.73
TDP1 Q9NUW8 1/20 0.67
ALDH1A1 P00352 4/20 0.62
TP53 P04637 3/20 0.62
TSHR P16473 3/20 0.62
MAPT P10636 2/20 0.62
HPGD P15428 2/20 0.62
HIF1A Q16665 2/20 0.62
CYP1A2 P05177 1/20 0.62
PPARG P37231 1/20 0.62
CYP3A4 P08684 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PKM P14618 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
GRM2 Q14416 3/20 0.48
GLA P06280 1/20 0.45
FGFR1 P11362 1/20 0.44
SRC P12931 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
SCHEMBL16626144 0.94 ALDH1A1 (0.70) KMT2AMEN1TDP1ALDH1A1TP53
SCHEMBL19439755 0.88 KMT2A (0.69) KMT2AMEN1TDP1ALDH1A1TP53
SCHEMBL11812671 0.87 MEN1 (0.77) KMT2AMEN1TDP1ALDH1A1TP53
SCHEMBL9803440 0.84 MEN1 (0.83) KMT2AMEN1TDP1ALDH1A1TP53
SCHEMBL261607 0.84 MEN1 (1.00) KMT2AMEN1TDP1ALDH1A1TP53
SCHEMBL7966123 0.83 ALDH1A1 (0.70) KMT2AMEN1TDP1ALDH1A1TP53
SCHEMBL3693659 0.83 ALDH1A1 (0.70) KMT2AMEN1TDP1ALDH1A1TP53
SCHEMBL2335516 0.83 ALDH1A1 (0.70) KMT2AMEN1TDP1ALDH1A1TP53
SCHEMBL5164343 0.82 ALDH1A1 (0.59) KMT2AMEN1TDP1ALDH1A1TP53
SCHEMBL1583161 0.81 TDP1 (1.00) KMT2AMEN1TDP1ALDH1A1TP53

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-9802963-B2 Fluorine-containing complex compound, and production method for fluorine-containing organic compound employing same DAIKIN INDUSTRIES, LTD. (JP) 2017-10-31 US disclosed
US-9802963-B2 Fluorine-containing complex compound, and production method for fluorine-containing organic compound employing same DAIKIN INDUSTRIES, LTD. (JP) 2017-10-31 US disclosed
US-20160214999-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME DAIKIN INDUSTRIES, LTD. (JP) 2016-07-28 US disclosed
US-20160214999-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME DAIKIN INDUSTRIES, LTD. (JP) 2016-07-28 US disclosed
WO-2015050236-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME ダイキン工業株式会社 2015-04-09 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-20160214999-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME AFF1, AFF2, AFF4 KMT2A 1004/4885MEN1 12/4885TDP1 3957/4885

“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.