SCHEMBL5494934

SCHEMBL5494934

OC1CCCCCCC(O)CC1

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.83
ESR2 Q92731 2/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
EPHX2 P34913 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
SHBG P04278 1/20 0.35
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 1/20 0.33
EPHX1 P07099 5/20 0.32
CYP3A4 P08684 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL15484202 1.00 TSHR (0.83) TSHRESR2CES2CES1EPHX2
SCHEMBL6911241 1.00 TSHR (0.83) TSHRESR2CES2CES1EPHX2
SCHEMBL9215694 0.96 TSHR (0.91) TSHRESR2CES2CES1EPHX2
SCHEMBL2197408 0.96 TSHR (0.91) TSHRESR2CES2CES1EPHX2
SCHEMBL11948880 0.96 TSHR (0.91) TSHRESR2CES2CES1EPHX2
SCHEMBL23121456 0.96 TSHR (0.91) TSHRESR2CES2CES1EPHX2
SCHEMBL811883 0.96 TSHR (0.91) TSHRESR2CES2CES1EPHX2
Cyclooctanol SCHEMBL40903 0.96
Cyclohexanol SCHEMBL5545 0.96
Cyclohexanol SCHEMBL8503956 0.96 TSHR (0.91) TSHRESR2CES2CES1EPHX2

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
CN-108774293-A Compound, the manufacturing method of polymerizable compound and hydrazine compound 日本瑞翁株式会社 2018-11-09 CN disclosed
CN-108780186-A Optically anisotropic laminate, circularly polarizing plate, and image display device 日本瑞翁株式会社 2018-11-09 CN disclosed
CN-105745233-B Polymerizable compound, polymerizable composition, polymer, and optically anisotropic body 日本瑞翁株式会社 2018-06-12 CN 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
EP-0980028-B1 Erasable image forming material TOSHIBA KK (JP) 2007-11-28 EP disclosed
US-6203603-B1 COLOR FORMER, DEVELOPER, MATRIX AND POLYMER DECOLORIZER KABUSHIKI KAISHA TOSHIBA (JP) 2001-03-20 US disclosed
EP-0980028-A1 Erasable image forming material KABUSHIKI KAISHA TOSHIBA (JP) 2000-02-16 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 (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 129/4885CES2 495/4885
US-20140107350-A1 Process for Preparing Episulfide Compounds TST, EPHX2, STS TSHR 1233/4885ESR2 129/4885CES2 495/4885

“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.