SCHEMBL16626135

SCHEMBL16626135

C=Cc1ccc(C(F)(F)C(F)(F)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 2/20 0.44
PTGS1 P23219 2/20 0.42
AHR P35869 1/20 0.42
NQO2 P16083 2/20 0.41
FBP1 P09467 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HDAC3 O15379 1/20 0.40
ADAM17 P78536 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
TGM2 P21980 1/20 0.40
TSHR P16473 2/20 0.39
KIF11 P52732 1/20 0.38

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
SCHEMBL16626146 0.93 ALDH1A1 (0.58) ALDH1A1CYP1A2PTGS1AHRNQO2
SCHEMBL476560 0.93 ALDH1A1 (0.58) ALDH1A1CYP1A2PTGS1AHRNQO2
SCHEMBL5513731 0.86 KIF11 (0.54) ALDH1A1CYP1A2PTGS1AHRNQO2
SCHEMBL21920722 0.86 KIF11 (0.54) ALDH1A1CYP1A2PTGS1AHRNQO2
SCHEMBL23044767 0.84 ALDH1A1 (0.48) ALDH1A1CYP1A2PTGS1AHRNQO2
SCHEMBL16626142 0.84 ALDH1A1 (0.54) ALDH1A1CA1CA2HDAC2HDAC8
Methoxymethane SCHEMBL28929715 0.84 ALDH1A1 (0.48) ALDH1A1CYP1A2PTGS1AHRNQO2
Boric Acid SCHEMBL28879181 0.84 CA1 (0.52) ALDH1A1CYP1A2PTGS1AHRNQO2
SCHEMBL476554 0.84 ALDH1A1 (0.52) ALDH1A1CYP1A2PTGS1AHRNQO2
SCHEMBL17943251 0.83 ALDH1A1 (0.46) ALDH1A1CA1CA2HDAC8TSHR

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 8 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-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 1452/4885CYP1A2 237/4885PTGS1 3731/4885

“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.