SCHEMBL8990276

SCHEMBL8990276

CC1(C)OCC(c2ccccc2)CO1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
TMEM97 Q5BJF2 1/20 0.46
TSHR P16473 1/20 0.43
KDM1A O60341 4/20 0.42
MAOA P21397 4/20 0.42
MAOB P27338 4/20 0.42
TRPA1 O75762 1/20 0.42
TACR1 P25103 2/20 0.41
HCRTR2 O43614 3/20 0.41
HCRTR1 O43613 2/20 0.41
SLC18A3 Q16572 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
MAP1LC3B Q9GZQ8 1/20 0.37

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
SCHEMBL8073204 0.79 TACR1 (0.46) SIGMAR1TMEM97TSHRKDM1AMAOA
SCHEMBL5855768 0.79 TSHR (0.41) TSHRKDM1AMAOBHCRTR2HCRTR1
SCHEMBL2716432 0.79 ESR2 (0.52)
SCHEMBL2730097 0.78 TP53 (0.51) MAOAMAOBGAAMAPTCYP2C19
SCHEMBL15630936 0.77 CYP11B2 (0.51) TRPA1HCRTR2MAPT
SCHEMBL5856089 0.77 HCRTR1 (0.43) KDM1AHCRTR2HCRTR1MAPTMEN1
SCHEMBL7787343 0.75 TSHR (0.50) TSHRKDM1AMAOAMAOBHCRTR2
SCHEMBL16377614 0.75 TSHR (0.50) TSHRKDM1AMAOAMAOBHCRTR2
SCHEMBL5371551 0.75 TSHR (0.50) TSHRKDM1AMAOAMAOBHCRTR2
SCHEMBL15791659 0.74 TMEM97 (0.38) SIGMAR1TMEM97TSHRTRPA1TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210226253-A1 ELECTROLYTIC SOLUTION FOR LITHIUM-ION SECONDARY BATTERY, AND LITHIUM-ION SECONDARY BATTERY MURATA MANUFACTURING CO., LTD. (JP) 2021-07-22 US disclosed
EP-3370681-A1 REDOX POLYMERIZABLE DENTAL COMPOSITION WITH PHOTOLABILE TRANSITION METAL COMPLEXES 3M Innovative Properties Company (US) 2018-09-12 EP disclosed
EP-3370680-A1 REDOX POLYMERIZABLE COMPOSITION WITH PHOTOLABILE TRANSITION METAL COMPLEXES 3M Innovative Properties Company (US) 2018-09-12 EP disclosed
WO-2017079189-A1 REDOX POLYMERIZABLE DENTAL COMPOSITION WITH PHOTOLABILE TRANSITION METAL COMPLEXES 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-05-11 WO disclosed
WO-2017078883-A1 REDOX POLYMERIZABLE COMPOSITION WITH PHOTOLABILE TRANSITION METAL COMPLEXES 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-05-11 WO disclosed
US-5500484-A FROM ALDEHYDE KURARAY CO., LTD. (JP) 1996-03-19 US disclosed
EP-0641757-A1 2-Aryl-1,3-propanediol and dioxane derivatives and their preparation KURARAY CO., LTD. (JP) 1995-03-08 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-20210226253-A1 ELECTROLYTIC SOLUTION FOR LITHIUM-ION SECONDARY BATTERY, AND LITHIUM-ION SECONDARY BATTERY TPO, DNASE1, KCNN2 SIGMAR1 3698/4885TMEM97 3971/4885TSHR 1943/4885

“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.