SCHEMBL7062820

SCHEMBL7062820

CCC(=O)OC(C)(C)C(=O)OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
TSHR P16473 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HTR2A P28223 2/20 0.37
ADRA1A P35348 2/20 0.37
CYP2C19 P33261 2/20 0.37
USP2 O75604 1/20 0.37
ABCB11 O95342 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADRB3 P13945 1/20 0.37
HPGD P15428 1/20 0.37
CNR1 P21554 1/20 0.37
ACHE P22303 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2C P28335 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
SCHEMBL24160998 0.84 LMNA (0.44) LMNATSHRMEN1KMT2AHTR2A
SCHEMBL23293968 0.84 ALOX15 (0.30)
SCHEMBL23334195 0.84 MAPT (0.30) MAPT
SCHEMBL23334609 0.82 PRKCA (0.35) MEN1KMT2ACYP2C19CTSKRECQL
SCHEMBL7817817 0.82 LMNA (0.36) LMNATSHRMEN1KMT2AHTR2A
SCHEMBL23334455 0.81 FAAH (0.34) LMNACNR1ALDH1A1CTSK
SCHEMBL23293940 0.79 TSHR (0.37) TSHRSMN1; SMN2TDP1ALDH1A1MMP8
SCHEMBL4675922 0.78 DGAT1 (0.41) LMNATSHRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4678703 0.77 CYP4F2 (0.43) LMNATSHRMEN1KMT2AHTR2A
SCHEMBL23581549 0.76 ALDH1A1 (0.44) LMNATSHRMEN1KMT2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3816268-A1 ISOBUTYRIC ESTER COMPOUND HAVING PROPANOYLOXY GROUP AT ? POSITION, PERFUME COMPOSITION, AND USE AS PERFUME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-05-05 EP disclosed
EP-3816268-A1 ISOBUTYRIC ESTER COMPOUND HAVING PROPANOYLOXY GROUP AT ? POSITION, PERFUME COMPOSITION, AND USE AS PERFUME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-05-05 EP disclosed
US-20030216258-A1 Condensed heterocylic compounds and herbicides containing them as active ingredients SUMITOMO CHEMICAL COMPANY, LIMITED 2003-11-20 US disclosed
US-6586368-B1 Benzofuran derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-01 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-20030216258-A1 Condensed heterocylic compounds and herbicides containing them as active ingredients CBR3, CBR1, HAAO LMNA 2228/4885TSHR 1858/4885MEN1 4239/4885

“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.