SCHEMBL16626281

SCHEMBL16626281

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.44
CA7 P43166 5/20 0.44
CA1 P00915 5/20 0.44
CA4 P22748 2/20 0.44
SRD5A2 P31213 4/20 0.44
CA9 Q16790 2/20 0.42
CYP2C8 P10632 2/20 0.41
CA2 P00918 2/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
TTR P02766 1/20 0.39
PTPRC P08575 2/20 0.38
CYP2C9 P11712 1/20 0.38
PDK2 Q15119 1/20 0.38
MAP4K4 O95819 1/20 0.36

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
SCHEMBL16626284 0.87 CA12 (0.38) CA12CA7CA1CA4CA9
SCHEMBL16626129 0.85 TDP1 (0.45) CA12CA7CA1CA4CA9
SCHEMBL25955785 0.85 CA12 (0.42) CA12CA7CA1CA4SRD5A2
SCHEMBL16626117 0.85 ALOX15 (0.46) CA12CA7CA1CA4
Benzoic Acid SCHEMBL28332838 0.82 CA12 (0.42) CA12CA7CA1CA4SRD5A2
SCHEMBL16626286 0.80 TDP2 (0.40) CYP2C8CYP2C9
SCHEMBL16626283 0.80 ALDH1A1 (0.38) PTPRCPDK2
SCHEMBL1080970 0.78 TTR (0.60) CA12CA7CA1CA4CA9
SCHEMBL29355829 0.78 TTR (0.60) CA12CA7CA1CA4CA9
SCHEMBL22458 0.78 TTR (0.60) CA12CA7CA1CA4CA9

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.