SCHEMBL9568779

SCHEMBL9568779

C=CCCOC(=O)c1ccc(C(=O)OCCC=C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.48
TSHR P16473 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
CHRM1 P11229 1/20 0.48
SLC6A2 P23975 1/20 0.48
KDR P35968 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
SNCA P37840 1/20 0.46
LMNA P02545 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
MAPK1 P28482 2/20 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
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL9568783 0.93 ALDH1A1 (0.58) ESR1TSHRALDH1A1TDP1CHRM1
SCHEMBL13758161 0.91 TRPV1 (0.49) ESR1TSHRALDH1A1TDP1CHRM1
SCHEMBL29110130 0.91 SNCA (0.48) ESR1TSHRALDH1A1TDP1CHRM1
SCHEMBL2833613 0.91 KMT2A (0.45) ESR1TSHRALDH1A1TDP1CHRM1
SCHEMBL31571905 0.91 HPGD (0.49) ESR1TSHRALDH1A1TDP1CHRM1
SCHEMBL24370968 0.91 GAA (0.54) ESR1TSHRALDH1A1TDP1CHRM1
SCHEMBL529612 0.90 TDP1 (0.63) ESR1TSHRALDH1A1TDP1SLC6A2
SCHEMBL19400962 0.89 TSHR (0.50) ESR1TSHRALDH1A1TDP1CHRM1
SCHEMBL24789585 0.89 ESR1 (0.47) ESR1TSHRALDH1A1TDP1CHRM1
SCHEMBL31571906 0.89 TSHR (0.49) ESR1TSHRALDH1A1TDP1CHRM1

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
JP-5286904-A None JP disclosed
US-20250270382-A1 METHODS OF CHEMICAL DECONSTRUCTION AND UPCYCLING OF POLYETHYLENE TEREPHTHALATE UT-BATTELLE, LLC 2025-08-28 US disclosed
WO-2022261234-A1 ELASTOMERIC ELECTROLYTE FOR HIGH-ENERGY ALL-SOLID-STATE METAL BATTERIES GEORGIA TECH RESEARCH CORPORATION (US) 2022-12-15 WO disclosed
JP-H05286904-A PRODUCTION OF ALLYL ESTERS DAISO CO LTD 1993-11-02 JP 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-20250270382-A1 METHODS OF CHEMICAL DECONSTRUCTION AND UPCYCLING OF POLYETHYLENE TEREPHTHALATE RER1, RTCB, FOSB ESR1 695/4885TSHR 671/4885ALDH1A1 706/4885

“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.