SCHEMBL16626146

SCHEMBL16626146

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.38
HDAC8 Q9BY41 2/20 0.37
CYP1A2 P05177 2/20 0.34
AHR P35869 1/20 0.33
PTGS1 P23219 1/20 0.33
FBP1 P09467 1/20 0.32
NQO2 P16083 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
HDAC3 O15379 1/20 0.31
ADAM17 P78536 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
TGM2 P21980 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
SCHEMBL16626135 0.93 ALDH1A1 (0.50) ALDH1A1TSHRHDAC8CYP1A2AHR
SCHEMBL16626142 0.91 ALDH1A1 (0.54) ALDH1A1TSHRTDP1HDAC8CA1
SCHEMBL476554 0.90 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HDAC8CYP1A2
SCHEMBL17943251 0.89 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HDAC8CA1
SCHEMBL476546 0.86 ALDH1A1 (0.48) ALDH1A1TSHRTDP1HDAC8CYP1A2
SCHEMBL16626145 0.85 PDE2A (0.42) ALDH1A1TSHRTDP1
SCHEMBL21066247 0.84 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HDAC8CYP1A2
SCHEMBL476560 0.84 ALDH1A1 (0.58) ALDH1A1TSHRHDAC8CYP1A2AHR
SCHEMBL8383958 0.83 ALDH1A1 (0.44) ALDH1A1TSHRTDP1HDAC8CYP1A2
SCHEMBL1134055 0.83 ALDH1A1 (0.44) ALDH1A1TSHRTDP1HDAC8CYP1A2

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 ALDH1A1 1452/4885TSHR 405/4885TDP1 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.