SCHEMBL2079486

SCHEMBL2079486

CCOP(=O)(OCC)C(CC)(CC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PPARD Q03181 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.32
NR1I2 O75469 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL8005222 0.81 TSHR (0.31) TSHRPPARDSMN1; SMN2
SCHEMBL98778 0.81 PPARD (0.38) TSHRTP53TDP1PPARDCA12
SCHEMBL8820544 0.78 TSHR (0.39) TSHRTP53TDP1PPARDCA12
SCHEMBL7490235 0.77 TSHR (0.37) TSHRTP53TDP1PPARDCA12
SCHEMBL14105288 0.76 TSHR (0.40) TSHRTP53TDP1PPARDCA12
SCHEMBL905270 0.75 TSHR (0.36) TSHRTP53TDP1PPARDCA12
SCHEMBL6553791 0.75 TSHR (0.36) TSHRTP53TDP1PPARDCA12
SCHEMBL3170237 0.75 TP53 (0.38) TSHRTP53TDP1PPARDCA12
SCHEMBL11430886 0.74 TP53 (0.41) TSHRTP53TDP1PPARDCA12
SCHEMBL10590583 0.74 TSHR (0.41) TSHRTP53TDP1PPARDCA12

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-108603018-B Polycarbonate resin composition and molded article thereof 三菱化学株式会社 2020-08-14 CN disclosed
CN-107849344-B Polycarbonate resin compound 华东理工大学 2020-07-10 CN disclosed
CN-107922720-B Polycarbonate resin composition, method for producing same, and molded article 华东理工大学 2020-06-19 CN disclosed
CN-107709458-B Polycarbonate resin composition, method for producing same, and molded article 华东理工大学 2020-06-19 CN disclosed
CN-107709459-B Polycarbonate resin composition, method for producing same, and molded article 华东理工大学 2020-06-19 CN disclosed
CN-107075099-B Polycarbonate resin, molded article, and optical film 三菱化学株式会社 2020-06-12 CN disclosed
CN-111171545-A Polycarbonate resin composition, method for producing same, and molded article 三菱化学株式会社 2020-05-19 CN disclosed
CN-107849345-B Polycarbonate resin composition, method for producing same, and molded article 三菱化学株式会社 2020-03-13 CN disclosed
US-20140034623-A1 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2014-02-06 US disclosed
US-8586745-B2 Switchable special effect substances BASF SE (DE) 2013-11-19 US disclosed
US-20110060113-A1 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2011-03-10 US disclosed
US-20070154732-A1 Dendrimer compound and organic luminescent device employing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-07-05 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 (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-20110060113-A1 SWITCHABLE SPECIAL EFFECT SUBSTANCES PPARG, PTGER4, NR2E3 TSHR 1489/4885TP53 2844/4885TDP1 3584/4885

“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.