SCHEMBL1194199

SCHEMBL1194199

CCC(=O)[C@H](C)OC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
TP53 P04637 1/20 0.52
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
LMNA P02545 4/20 0.49
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
POLB P06746 1/20 0.46
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
F2 P00734 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MEN1 O00255 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
SCHEMBL1194201 1.00 TSHR (0.52) TSHRTP53PDCD1CD274LMNA
SCHEMBL582407 0.81 TSHR (0.64) TSHRTP53PDCD1CD274LMNA
SCHEMBL15253524 0.81 TSHR (0.64) TSHRTP53PDCD1CD274LMNA
SCHEMBL15253339 0.81 TSHR (0.64) TSHRTP53PDCD1CD274LMNA
SCHEMBL10974887 0.81 NPC1 (0.54) TSHRTP53PDCD1CD274LMNA
SCHEMBL8128097 0.79 TSHR (0.57) TSHRTP53PDCD1CD274LMNA
SCHEMBL14297427 0.79 NPC1 (0.61) TSHRTP53PDCD1CD274LMNA
SCHEMBL28525420 0.79 TSHR (0.62) TSHRTP53PDCD1CD274LMNA
SCHEMBL27960013 0.78 TSHR (0.47) TSHRTP53PDCD1CD274LMNA
SCHEMBL2980323 0.78 LMNA (0.55) TSHRTP53PDCD1CD274LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12239639-B2 Cytotoxic actin-targeting compounds QUEEN'S UNIVERSITY AT KINGSTON (CA) 2025-03-04 US disclosed
US-20230037322-A1 Cytotoxic Actin-Targeting Compounds QUEEN'S UNIVERSITY AT KINGSTON (CA) 2023-02-09 US disclosed
US-20230037322-A1 Cytotoxic Actin-Targeting Compounds QUEEN'S UNIVERSITY AT KINGSTON (CA) 2023-02-09 US disclosed
US-11369594-B2 Cytotoxic actin-targeting compounds QUEEN'S UNIVERSITY AT KINGSTON (CA) 2022-06-28 US disclosed
US-11369594-B2 Cytotoxic actin-targeting compounds QUEEN'S UNIVERSITY AT KINGSTON (CA) 2022-06-28 US disclosed
US-20200306233-A1 Cytotoxic Actin-Targeting Compounds QUEEN'S UNIVERSITY AT KINGSTON (CA) 2020-10-01 US disclosed
US-7884128-B2 reacting 11-{[tert-butyl(dimethyl)silyl]oxy}-7-[(E)-2-formyl-1-methyleth-1-en-1-yl]-6,13a-dimethyl-2-phenyl-3a,6,7,10,11,12,13,13a-octahydro-9H-[1,3]dioxolo[4,5-f]oxacyclododecin-9-one with 2-methyl-3-[(1-phenyl-1H-tetrazol-5-yl)sulfonyl]propyl}oxiran-2-yl)pentane-3-ol, to form pladienolide analogues EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-02-08 US disclosed
US-7816401-B2 Process for total synthesis of pladienolide B and pladienolide D EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-19 US disclosed
US-20100204490-A1 PROCESS FOR TOTAL SYNTHESIS OF PLADIENOLIDE B AND PLADIENOLIDE D KANADA REGINA MIKIE 2010-08-12 US disclosed
EP-1935893-A1 TOTAL SYNTHESIS OF PLADIENOLIDE B AND PLADIENOLIDE D Eisai R&D Management Co., Ltd. (JP) 2008-06-25 EP disclosed
US-20080021226-A1 Process for total synthesis of pladienolide B and pladienolide D EISAI R&D MANAGEMENT CO., LTD. 2008-01-24 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 (6 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-20230037322-A1 Cytotoxic Actin-Targeting Compounds ACTB, ACTR2, MYC TSHR 4606/4885TP53 121/4885PDCD1 1092/4885
US-12239639-B2 Cytotoxic actin-targeting compounds ACTB, ACTR2, MYC TSHR 4606/4885TP53 121/4885PDCD1 1092/4885
US-20100204490-A1 PROCESS FOR TOTAL SYNTHESIS OF PLADIENOLIDE B AND PLADIENOLIDE D CYP8B1, PLA2G2D, HPD TSHR 2691/4885TP53 4298/4885PDCD1 3996/4885
US-11369594-B2 Cytotoxic actin-targeting compounds ACTB, ACTR2, MYC TSHR 4606/4885TP53 121/4885PDCD1 1092/4885
US-20200306233-A1 Cytotoxic Actin-Targeting Compounds ACTB, ACTR2, MYC TSHR 4606/4885TP53 121/4885PDCD1 1092/4885
US-20080021226-A1 Process for total synthesis of pladienolide B and pladienolide D TPD52L2, CYP8B1, HPD TSHR 2611/4885TP53 547/4885PDCD1 3040/4885

“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.