SCHEMBL23867591

SCHEMBL23867591

CC(=O)C(C)OCC(=O)c1cccc(CC2CCCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPM1D O15297 3/20 0.43
▸ EPHX1 P07099 1/20 0.38
▸ F2RL1 P55085 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ PLAU P00749 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36

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
SCHEMBL23867606 0.79 PPM1D (0.43) PPM1DEPHX1ALDH1A1PLAUL3MBTL1
SCHEMBL31277233 0.78 NPC1 (0.56) PPM1DEPHX1ALDH1A1PLAUTDP1
SCHEMBL9005566 0.74 PPM1D (0.64) PPM1DEPHX1PLAU
SCHEMBL9005670 0.74 PPM1D (0.64) PPM1DEPHX1PLAU
SCHEMBL28242711 0.73 OPRM1 (0.59) PPM1DEPHX1F2RL1PLAUGAA
SCHEMBL6950371 0.73 ERCC5 (0.51) PPM1DPLAUNPC1
SCHEMBL1345174 0.69 LTB4R (0.46) ALDH1A1SMN1; SMN2
SCHEMBL19245054 0.68 L3MBTL1 (0.38) ALDH1A1PLAUGAAL3MBTL1NPC1
SCHEMBL757429 0.67 LOXL2 (0.62) PPM1DALDH1A1NPC1SMN1; SMN2
SCHEMBL16191538 0.67 EED (0.40) EPHX1ALDH1A1GAAL3MBTL1

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-20210300972-A1 COMPOUND HAVING AFFINITY SUBSTANCE TO ANTIBODY, CLEAVABLE PORTION, AND REACTIVE GROUP, OR SALT THEREOF AJINOMOTO CO., INC. (JP) 2021-09-30 — — 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-20210300972-A1 COMPOUND HAVING AFFINITY SUBSTANCE TO ANTIBODY, CLEAVABLE PORTION, AND REACTIVE GROUP, OR SALT THEREOF FCGR3B, FCGR2A, QPCTL PPM1D 4818/4885EPHX1 3237/4885F2RL1 640/4885

“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.

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