SCHEMBL16626101

SCHEMBL16626101

O=Cc1ccc(C(F)(F)C(F)(F)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
CYP2A6 P11509 2/20 0.54
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.39
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
PTPN1 P18031 1/20 0.39
KIF11 P52732 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
DRD1 P21728 3/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 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
SCHEMBL17508286 0.87 ALDH1A1 (0.54) ALDH1A1CYP2A6TSHRHSD17B10ALDH5A1
SCHEMBL16626288 0.84 CYP1A2 (0.48) CYP2A6HSD17B10ALDH5A1ABATKIF11
SCHEMBL2862629 0.82 CYP2A6 (0.42) ALDH1A1CYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL9883874 0.82 ALDH1A1 (0.59) ALDH1A1CYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL19056951 0.82 CYP2A6 (0.42) ALDH1A1CYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL19056941 0.80 CYP2A6 (0.41) ALDH1A1CYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL16626142 0.78 ALDH1A1 (0.54) ALDH1A1TSHRPTPN1KIF11CA1
SCHEMBL9883872 0.78 ALDH1A1 (0.54) ALDH1A1CYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL6925390 0.78 ALDH1A1 (0.54) ALDH1A1CYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL2143877 0.78 ALDH1A1 (0.54) ALDH1A1CYP2A6TSHRHSD17B10

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-RE49222-E1 Fluorine-containing complex compound, and production method for fluorine-containing organic compound employing same DAIKIN INDUSTRIES, LTD. (JP) 2022-09-27 US disclosed
CN-112047913-A Fluorine-containing complex compound and method for producing fluorine-containing organic compound using same 大金工业株式会社 2020-12-08 CN disclosed
CN-111961068-A Fluorine-containing complex compound and method for producing fluorine-containing organic compound using same 大金工业株式会社 2020-11-20 CN 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-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
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 ALDH1A1 1452/4885CYP2A6 2624/4885TSHR 405/4885

“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.