SCHEMBL23867606

SCHEMBL23867606

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPM1D O15297 3/20 0.43
▸ ACACB O00763 1/20 0.39
▸ ACACA Q13085 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PLAU P00749 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ EPHX1 P07099 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35

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
SCHEMBL23867591 0.79 PPM1D (0.43) PPM1DALDH1A1SMN1; SMN2PLAUNPC1
SCHEMBL31277233 0.78 NPC1 (0.56) PPM1DALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL9005566 0.74 PPM1D (0.64) PPM1DCYP2C9PLAUEPHX1OPRM1
SCHEMBL9005670 0.74 PPM1D (0.64) PPM1DCYP2C9PLAUEPHX1OPRM1
SCHEMBL23352490 0.74 L3MBTL1 (0.37) PPM1DALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL28242711 0.73 OPRM1 (0.59) PPM1DPLAUNPC1EPHX1OPRM1
SCHEMBL6950371 0.73 ERCC5 (0.51) PPM1DPLAUNPC1OPRM1OPRD1
SCHEMBL757429 0.67 LOXL2 (0.62) PPM1DALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL23684186 0.65 SLC7A5 (0.51) PPM1DSMN1; SMN2NPC1LMNAOPRM1
SCHEMBL30260217 0.65 SLC7A5 (0.51) PPM1DSMN1; SMN2NPC1LMNAOPRM1

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 4818/4885ACACB 4581/4885ACACA 4553/4885

“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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