SCHEMBL814585

SCHEMBL814585

COC(=O)CCCCCCOCCC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.40
RECQL P46063 1/20 0.39
CES2 O00748 1/20 0.39
GAA P10253 1/20 0.38
KMT2A Q03164 3/20 0.37
EPHX2 P34913 1/20 0.37
POLB P06746 1/20 0.37
POLA1 P09884 1/20 0.37
MEN1 O00255 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PLA2G2C Q5R387 1/20 0.35
DGKA P23743 1/20 0.35

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
SCHEMBL8368795 0.85 TSHR (0.64) TSHRLMNAALDH1A1RECQLGAA
SCHEMBL16059320 0.85 TSHR (0.64) TSHRLMNAALDH1A1RECQLGAA
SCHEMBL18992794 0.84 TSHR (0.48) TSHRLMNAALDH1A1PKMRECQL
SCHEMBL18992784 0.83 TSHR (0.56) TSHRLMNAALDH1A1PKMRECQL
SCHEMBL18992940 0.83 TSHR (0.56) TSHRLMNAALDH1A1PKMRECQL
SCHEMBL21451771 0.83 TSHR (0.56) TSHRLMNAALDH1A1PKMRECQL
SCHEMBL816436 0.82 PAOX (0.41) ALDH1A1CES2GAAKMT2AMEN1
SCHEMBL25754056 0.81 TSHR (0.58) TSHRLMNAALDH1A1PKMRECQL
SCHEMBL815907 0.80 ALDH1A1 (0.48) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL30497656 0.80 ALDH1A1 (0.48) TSHRLMNAALDH1A1RECQLKMT2A

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 18 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-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 TSHR 1160/4885LMNA 1688/4885ALDH1A1 2479/4885
US-20090264525-A1 FLUOROSURFACTANTS FASN, FFAR3, SGMS2 TSHR 754/4885LMNA 2415/4885ALDH1A1 2925/4885

“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.