SCHEMBL814157

SCHEMBL814157

O=C(Cl)CCCCCCOCCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
CES2 O00748 3/20 0.37
GAA P10253 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
EPHX2 P34913 1/20 0.35
TP53 P04637 1/20 0.34
FAAH O00519 7/20 0.33
CES1 P23141 5/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL815907 0.83 ALDH1A1 (0.48) ALDH1A1TSHRHDAC1HDAC2MEN1
SCHEMBL30497656 0.83 ALDH1A1 (0.48) ALDH1A1TSHRHDAC1HDAC2MEN1
SCHEMBL26435281 0.82 ALDH1A1 (0.52) ALDH1A1TSHRCES2GAAEPHX2
SCHEMBL816436 0.81 PAOX (0.41) ALDH1A1CES2GAAHDAC1HDAC2
SCHEMBL10442030 0.80 TSHR (0.50) ALDH1A1TSHRCES2TP53FAAH
SCHEMBL10441949 0.80 TSHR (0.50) ALDH1A1TSHRCES2TP53FAAH
SCHEMBL10442274 0.80 TSHR (0.50) ALDH1A1TSHRCES2TP53FAAH
SCHEMBL10442037 0.80 TSHR (0.50) ALDH1A1TSHRCES2TP53FAAH
SCHEMBL10442132 0.80 TSHR (0.50) ALDH1A1TSHRCES2TP53FAAH
SCHEMBL10442040 0.80 TSHR (0.50) ALDH1A1TSHRCES2TP53FAAH

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067625-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-29 US disclosed
US-8067625-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-29 US disclosed
US-8049022-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-01 US disclosed
US-8049022-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-01 US disclosed
US-8049022-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-01 US disclosed
US-20090312432-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-12-17 US disclosed
US-20090312432-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-12-17 US disclosed
US-20090312432-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-12-17 US disclosed
US-20090264525-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2009-10-22 US disclosed
US-20090264525-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2009-10-22 US disclosed
US-20090264525-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2009-10-22 US disclosed
EP-2035130-A1 FLUOROSURFACTANTS Merck Patent GmbH (DE) 2009-03-18 EP disclosed
EP-2035363-A1 FLUOROSURFACANTS Merck Patent GmbH (DE) 2009-03-18 EP disclosed
WO-2008003444-A1 FLUOROSURFACANTS MERCK PATENT GMBH (DE) 2008-01-10 WO disclosed
WO-2008003444-A1 FLUOROSURFACANTS MERCK PATENT GMBH (DE) 2008-01-10 WO disclosed
WO-2008003445-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2008-01-10 WO disclosed
WO-2008003445-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2008-01-10 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 (2 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-20090312432-A1 FLUOROSURFACTANTS SGMS2, FASN, SGMS1 ALDH1A1 2479/4885TSHR 1160/4885CES2 288/4885
US-20090264525-A1 FLUOROSURFACTANTS FASN, FFAR3, SGMS2 ALDH1A1 2925/4885TSHR 754/4885CES2 385/4885

“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.