SCHEMBL608479

SCHEMBL608479

O=C(OCCCCCF)OCCCCCF

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
NAAA Q02083 1/20 0.38
EPHX1 P07099 1/20 0.35
FAAH O00519 1/20 0.35
ACHE P22303 6/20 0.34
HTR2C P28335 1/20 0.34
HCAR2 Q8TDS4 1/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL608138 1.00 TSHR (0.41) TSHRALDH1A1CYP3A4NAAAEPHX1
SCHEMBL475356 0.97 ALDH1A1 (0.37) TSHRALDH1A1CYP3A4NAAAEPHX1
SCHEMBL608729 0.89 ALDH1A1 (0.36) TSHRALDH1A1CYP3A4NAAATDP1
SCHEMBL30515234 0.89 NAAA (0.55) TSHRALDH1A1NAAAEPHX1FAAH
SCHEMBL26614417 0.86 NAAA (0.52) TSHRALDH1A1CYP3A4NAAAEPHX1
SCHEMBL6932112 0.86 EPHX1 (0.39) TSHRALDH1A1CYP3A4NAAAEPHX1
SCHEMBL608988 0.82 TSHR (0.39) TSHRALDH1A1CYP3A4NAAAEPHX1
SCHEMBL31399605 0.80 ALDH1A1 (0.56) TSHRALDH1A1CYP3A4NAAAEPHX1
SCHEMBL31399453 0.80 ALDH1A1 (0.56) TSHRALDH1A1CYP3A4NAAAEPHX1
SCHEMBL31399442 0.80 ALDH1A1 (0.56) TSHRALDH1A1CYP3A4NAAAEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2218708-B1 METHOD FOR PRODUCING CARBONATE COMPOUND ASAHI GLASS CO LTD (JP) 2014-06-25 EP disclosed
US-20130230770-A1 NON-AQUEOUS SECONDARY BATTERY HITACHI MAXELL, LTD. (JP) 2013-09-05 US disclosed
US-20120045698-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-02-23 US disclosed
US-20120040252-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-02-16 US disclosed
EP-2278652-A2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery using the same Mitsubishi Chemical Corporation (JP) 2011-01-26 EP disclosed
US-7803487-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2010-09-28 US disclosed
US-20100240912-A1 METHOD FOR PRODUCING CARBONATE COMPOUND ASAHI GLASS COMPANY, LIMITED 2010-09-23 US disclosed
US-20100216036-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2010-08-26 US disclosed
EP-2218708-A1 METHOD FOR PRODUCING CARBONATE COMPOUND Asahi Glass Co., Ltd. (JP) 2010-08-18 EP disclosed
US-20080102375-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2008-05-01 US disclosed
EP-1898485-A1 NONAQUEOUS ELECTROLYTE, AND RECHARGEABLE BATTERY WITH NONAQUEOUS ELECTROLYTE Mitsubishi Chemical Corporation (JP) 2008-03-12 EP 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-20100240912-A1 METHOD FOR PRODUCING CARBONATE COMPOUND CA6, FRG1, CA3 TSHR 3410/4885ALDH1A1 4678/4885CYP3A4 533/4885

“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.