SCHEMBL3751588

SCHEMBL3751588

CC/C=C\CCCCOC(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.67
LMNA P02545 5/20 0.58
TSHR P16473 5/20 0.47
MAPK1 P28482 2/20 0.47
CYP3A4 P08684 2/20 0.47
TP53 P04637 1/20 0.47
CNR2 P34972 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
ESR1 P03372 1/20 0.46
CYP2D6 P10635 1/20 0.46
NR1H2 P55055 1/20 0.46
RNASEL Q05823 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2C9 P11712 1/20 0.45
PDE4D Q08499 1/20 0.45

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
SCHEMBL3751591 1.00 TDP1 (0.67) TDP1LMNATSHRMAPK1CYP3A4
SCHEMBL27491796 0.98 TDP1 (0.65) TDP1LMNATSHRMAPK1CYP3A4
SCHEMBL28603849 0.90 TDP1 (0.65) TDP1LMNATSHRMAPK1CYP3A4
SCHEMBL3200610 0.90 TDP1 (0.65) TDP1LMNATSHRMAPK1CYP3A4
SCHEMBL15080523 0.90 TDP1 (0.65) TDP1LMNATSHRMAPK1CYP3A4
SCHEMBL28686609 0.90 TDP1 (0.65) TDP1LMNATSHRMAPK1CYP3A4
SCHEMBL3200587 0.90 TDP1 (0.65) TDP1LMNATSHRMAPK1CYP3A4
SCHEMBL130435 0.89 LMNA (0.64) TDP1LMNATSHRMAPK1ALDH1A1
SCHEMBL1771682 0.89 LMNA (0.64) TDP1LMNATSHRMAPK1ALDH1A1
SCHEMBL130434 0.89 LMNA (0.64) TDP1LMNATSHRMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802258-B2 Perfume precursor TAKASAGO INTERNATIONAL CORPORATION (JP) 2023-10-31 US disclosed
US-11802258-B2 Perfume precursor TAKASAGO INTERNATIONAL CORPORATION (JP) 2023-10-31 US disclosed
US-20210214644-A1 PERFUME PRECURSOR TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-07-15 US disclosed
US-8389164-B2 Nonaqueous electrolytic solution, positive electrode and nonaqueous electrolyte secondary battery SONY CORPORATION (JP) 2013-03-05 US disclosed
US-8389164-B2 Nonaqueous electrolytic solution, positive electrode and nonaqueous electrolyte secondary battery SONY CORPORATION (JP) 2013-03-05 US disclosed
US-8389164-B2 Nonaqueous electrolytic solution, positive electrode and nonaqueous electrolyte secondary battery SONY CORPORATION (JP) 2013-03-05 US disclosed
US-20100304224-A1 NONAQUEOUS ELECTROLYTIC SOLUTION, POSITIVE ELECTRODE AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY SONY CORPORATION (JP) 2010-12-02 US disclosed
US-20100304224-A1 NONAQUEOUS ELECTROLYTIC SOLUTION, POSITIVE ELECTRODE AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY SONY CORPORATION (JP) 2010-12-02 US disclosed
US-20100304224-A1 NONAQUEOUS ELECTROLYTIC SOLUTION, POSITIVE ELECTRODE AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY SONY CORPORATION (JP) 2010-12-02 US disclosed
CN-101901933-A Nonaqueous electrolytic solution, positive pole and rechargeable nonaqueous electrolytic battery SONY CORP 2010-12-01 CN 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-11802258-B2 Perfume precursor CYP2E1, ADH1A, CYP1A1 TDP1 3060/4885LMNA 3027/4885TSHR 4186/4885
US-20210214644-A1 PERFUME PRECURSOR CYP2E1, ADH1A, CYP1A1 TDP1 3060/4885LMNA 3027/4885TSHR 4186/4885

“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.