SCHEMBL11324930

SCHEMBL11324930

OC1CCCCC(O)CCC1

nearest known ligand 0.91

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.91
ESR2 Q92731 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GPR119 Q8TDV5 1/20 0.32
EPHX2 P34913 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SHBG P04278 1/20 0.30
NOS2 P35228 2/20 0.30

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
SCHEMBL15832112 1.00 TSHR (0.91) TSHRESR2CA1CA2CA4
SCHEMBL15832048 1.00 TSHR (0.91) TSHRESR2CA1CA2CA4
SCHEMBL6906831 0.96 TSHR (0.83) TSHRESR2CA1CA2CA4
SCHEMBL15484169 0.96 TSHR (0.83) TSHRESR2CA1CA2CA4
SCHEMBL18860776 0.96 TSHR (0.83) TSHRESR2CA1CA2CA4
SCHEMBL16460532 0.96 TSHR (0.83) TSHRESR2CA1CA2CA4
Cyclopentanol SCHEMBL2433 0.95
SCHEMBL9225512 0.95 TSHR (0.82) TSHRESR2CA1CA2CA4
SCHEMBL6429664 0.95 TSHR (1.00) TSHRESR2CA1CA2CA4
SCHEMBL328907 0.95 TSHR (0.82) TSHRESR2CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11879109-B2 Fluorine-containing ether compound, lubricant for magnetic recording medium, and magnetic recording medium RESONAC CORPORATION (JP) 2024-01-23 US disclosed
CN-114341094-B Fluorine-containing ether compound, lubricant for magnetic recording medium, and magnetic recording medium 株式会社力森诺科 2024-01-12 CN disclosed
US-20220372390-A1 FLUORINE-CONTAINING ETHER COMPOUND, LUBRICANT FOR MAGNETIC RECORDING MEDIUM, AND MAGNETIC RECORDING MEDIUM SHOWA DENKO K.K. (JP) 2022-11-24 US disclosed
CN-114341094-A Fluorinated ether compound, lubricant for magnetic recording medium, and magnetic recording medium 昭和电工株式会社 2022-04-12 CN disclosed
WO-2021054202-A1 FLUORINE-CONTAINING ETHER COMPOUND, LUBRICANT FOR MAGNETIC RECORDING MEDIUM, AND MAGNETIC RECORDING MEDIUM 昭和電工株式会社 2021-03-25 WO disclosed
EP-2700636-B1 PROCESS FOR PREPARING EPISULFIDE COMPOUNDS ASAHI CHEMICAL IND (JP) 2017-08-02 EP disclosed
US-9359324-B2 Process for preparing episulfide compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-06-07 US disclosed
US-20150197501-A1 Process for Preparing Episulfide Compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-07-16 US disclosed
US-9051293-B2 Process for preparing episulfide compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-06-09 US disclosed
US-20140107350-A1 Process for Preparing Episulfide Compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-04-17 US disclosed
EP-2700636-A1 PROCESS FOR PREPARING EPISULFIDE COMPOUNDS Asahi Kasei Chemicals Corporation (JP) 2014-02-26 EP disclosed
US-4255301-A HEAT RESISTANCE, PHOTOSTABILITY ARGUS CHEMICAL CORPORATION (US) 1981-03-10 US 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-20150197501-A1 Process for Preparing Episulfide Compounds TST, EPHX2, STS TSHR 1233/4885ESR2 129/4885CA1 4208/4885
US-20140107350-A1 Process for Preparing Episulfide Compounds TST, EPHX2, STS TSHR 1233/4885ESR2 129/4885CA1 4208/4885

“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.