SCHEMBL16626111

SCHEMBL16626111

Cc1ccc(C(F)(F)C(F)(F)c2ccc(C)c(C)c2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
CYP19A1 P11511 2/20 0.37
KIF11 P52732 2/20 0.36
ESR1 P03372 2/20 0.36
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 2/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
MITF O75030 1/20 0.34
KMT2A Q03164 1/20 0.34
AR P10275 1/20 0.33
ESR2 Q92731 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL26756644 0.90 ALDH1A1 (0.39) ALDH1A1TP53MAPTCYP19A1KIF11
SCHEMBL451620 0.90 ALDH1A1 (0.39) ALDH1A1TP53MAPTCYP19A1KIF11
SCHEMBL26756584 0.87 HDAC1 (0.38) ALDH1A1TP53MAPTCYP19A1KIF11
SCHEMBL15957681 0.85 CYP19A1 (0.41) ALDH1A1CYP19A1KIF11ESR1PRSS1
SCHEMBL822330 0.83 ALDH1A1 (0.42) ALDH1A1TP53MAPTCYP19A1KIF11
SCHEMBL1755260 0.83 PDE2A (0.46) ALDH1A1TP53MAPTKIF11TSHR
SCHEMBL11746050 0.82 CYP19A1 (0.42) ALDH1A1CYP19A1KIF11ESR1MEN1
SCHEMBL23592890 0.81 ALDH1A1 (0.40) ALDH1A1TP53MAPTCYP19A1KIF11
SCHEMBL14748164 0.81 ALDH1A1 (0.40) ALDH1A1TP53MAPTCYP19A1KIF11
SCHEMBL13105395 0.79 ALDH1A1 (0.39) ALDH1A1TP53MAPTCYP19A1KIF11

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
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 1452/4885TP53 2143/4885MAPT 2657/4885

“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.