SCHEMBL29655352

SCHEMBL29655352

CCCCCC(=O)OC(C)(C)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.53
EPHX2 P34913 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
CETP P11597 3/20 0.42
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
HPGD P15428 1/20 0.42
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 1/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL273935 0.89 CTSK (0.50) CTSKCES2CES1RECQLALDH1A1
Butyric Acid SCHEMBL14763643 0.85 CTSK (0.47) CTSKRECQLALDH1A1
SCHEMBL27870286 0.83 CES2 (0.47) EPHX2MEN1KMT2ACES2CES1
SCHEMBL872678 0.82 KCNH2 (0.51) CTSKRECQLALDH1A1
SCHEMBL27484992 0.80 CTSK (0.50) CTSKRECQLALDH1A1
SCHEMBL3833989 0.79 TSHR (0.51) CTSKKMT2ACES2CES1RECQL
SCHEMBL27632022 0.78 KMT2A (0.43) CTSKEPHX2MEN1KMT2AMMP1
SCHEMBL5556046 0.78 CYP3A4 (0.49) CTSKRECQLALDH1A1
SCHEMBL10710422 0.77 EPHX2 (0.46) CTSKEPHX2MEN1KMT2AMMP1
SCHEMBL16685247 0.77 ALDH1A1 (0.43) EPHX2MEN1KMT2ACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240277012-A1 DUPLICATE BEVERAGE WANG JIE (US) 2024-08-22 US disclosed
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 US disclosed
US-11758933-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2023-09-19 US disclosed
EP-3368542-B1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2022-06-22 EP disclosed
US-11357246-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2022-06-14 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 (3 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-20240108040-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 CTSK 3504/4885EPHX2 3756/4885MEN1 2644/4885
US-11357246-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 CTSK 3504/4885EPHX2 3756/4885MEN1 2644/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 CTSK 3504/4885EPHX2 3756/4885MEN1 2644/4885

“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.