SCHEMBL16626284

SCHEMBL16626284

O=C(Cl)c1ccc(C(F)(F)C(F)(F)c2ccc3c(c2)C(=O)OC3=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.38
CA7 P43166 5/20 0.38
CA1 P00915 5/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA4 P22748 2/20 0.37
MAPT P10636 2/20 0.35
MCL1 Q07820 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
TYMS P04818 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 1/20 0.31
APAF1 O14727 1/20 0.31
TDP2 O95551 1/20 0.31

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
SCHEMBL16626281 0.87 CA12 (0.44) CA12CA7CA1CA2CA9
SCHEMBL16626117 0.84 ALOX15 (0.46) CA12CA7CA1CA4ALDH1A1
SCHEMBL16626129 0.81 TDP1 (0.45) CA12CA7CA1CA2CA9
SCHEMBL74379 0.79 CA12 (0.49) CA12CA7CA1CA2CA9
SCHEMBL29490657 0.79 CA12 (0.49) CA12CA7CA1CA2CA9
SCHEMBL16626286 0.78 TDP2 (0.40) MAPTALDH1A1ALOX15TDP1KMT2A
SCHEMBL16626283 0.78 ALDH1A1 (0.38) MAPTALDH1A1ALOX15TDP1KMT2A
SCHEMBL23630427 0.76 CA12 (0.42) CA12CA7CA1CA2CA9
SCHEMBL9602971 0.76 CA12 (0.45) CA12CA7CA1CA2CA9
SCHEMBL29868120 0.76 CA12 (0.42) CA12CA7CA1CA2CA9

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 CA12 376/4885CA7 798/4885CA1 398/4885

“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.