SCHEMBL16626100

SCHEMBL16626100

FC(F)(F)c1ccc(C(F)(F)C(F)(F)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
KIF11 P52732 6/20 0.52
TRPV6 Q9H1D0 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
ORAI1 Q96D31 1/20 0.50
ORAI2 Q96SN7 1/20 0.50
ORAI3 Q9BRQ5 1/20 0.50
MGLL Q99685 1/20 0.50
TAAR1 Q96RJ0 1/20 0.46
EPHX2 P34913 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
PLAU P00749 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
IDO1 P14902 1/20 0.44

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
SCHEMBL63468 0.89 ALDH1A1 (0.67) ALDH1A1TSHRKIF11TRPV6CES2
SCHEMBL16626098 0.88 TSHR (0.78) ALDH1A1TSHRKIF11TRPV6CES2
SCHEMBL16626116 0.86 TRPV1 (0.46) ALDH1A1TSHRKIF11TRPV6CES2
SCHEMBL16626263 0.86 CYP19A1 (0.50) ALDH1A1TSHRKIF11TRPV6CES2
SCHEMBL17943301 0.86 TSHR (0.48) ALDH1A1TSHRKIF11TRPV6CES2
SCHEMBL24871096 0.82 ALDH1A1 (0.46) ALDH1A1TSHRKIF11TRPV6CES2
SCHEMBL28943097 0.82 ALDH1A1 (0.46) ALDH1A1TSHRKIF11TRPV6CES2
SCHEMBL24871097 0.82 ALDH1A1 (0.46) ALDH1A1TSHRKIF11TRPV6CES2
Bromide SCHEMBL29093544 0.81 ALDH1A1 (0.59) ALDH1A1TSHRKIF11TRPV6CES2
Iodide SCHEMBL29093539 0.81 ALDH1A1 (0.59) ALDH1A1TSHRKIF11TRPV6CES2

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 6 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-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 405/4885KIF11 1977/4885

“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.