SCHEMBL23844692

SCHEMBL23844692

CC(=O)OC(C)(C)CC(C)N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
FDPS P14324 1/20 0.38
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
PMP22 Q01453 1/20 0.33
NLRP3 Q96P20 1/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32

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
SCHEMBL12869155 0.82 GAA (0.43) GAACYP2C19TSHR
SCHEMBL7566118 0.80 GAA (0.41) GAACYP3A4CYP1A2CYP2C9TSHR
SCHEMBL15745543 0.77 TSHR (0.45) GAATSHR
SCHEMBL12138526 0.75 GAA (0.38) GAATSHR
SCHEMBL23844675 0.74 ELANE (0.37) FDPSCYP3A4NFKB1LMNATSHR
SCHEMBL13385949 0.74 GAA (0.33) GAA
SCHEMBL12138626 0.72 GAA (0.35) GAA
SCHEMBL3391413 0.72 GAA (0.35) GAA
SCHEMBL11693040 0.72
Isopropylamine SCHEMBL28156605 0.72 GAA (0.41) GAACYP2D6CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210289776-A1 SURFACTANTS FOR AGRICULTURAL PRODUCTS TRUIST BANK, AS ADMINISTRATIVE AGENT 2021-09-23 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-20210289776-A1 SURFACTANTS FOR AGRICULTURAL PRODUCTS STOM, DDT, PTMS GAA 2144/4885FDPS 2268/4885CYP3A4 2974/4885

“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.