SCHEMBL1983304

SCHEMBL1983304

COc1cc(CC(=O)c2ccccc2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
NPC1 O15118 2/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 1/20 0.52
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
ATM Q13315 1/20 0.50
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL7823257 0.87 ALDH1A1 (0.61) LMNAHTTALDH1A1CYP1A2KDM4E
SCHEMBL29236694 0.86 NPC1 (0.73) LMNANPC1HTTALDH1A1SMN1; SMN2
SCHEMBL29236683 0.86 LMNA (0.56) LMNANPC1HTTALDH1A1KDM4E
SCHEMBL6897129 0.86 NR4A2 (0.54) LMNAALDH1A1CYP1A2KDM4ESMN1; SMN2
SCHEMBL27961458 0.84 ALDH1A1 (0.50) LMNAALDH1A1CYP1A2KDM4ESMN1; SMN2
SCHEMBL570575 0.84 LMNA (0.75) LMNANPC1HTTALDH1A1CYP1A2
SCHEMBL6897135 0.83 LMNA (0.45) LMNAHTTALDH1A1CYP1A2KDM4E
SCHEMBL29236859 0.83 LMNA (0.64) LMNANPC1HTTALDH1A1CYP1A2
SCHEMBL30969381 0.83 LMNA (0.64) LMNANPC1HTTALDH1A1CYP1A2
SCHEMBL29066097 0.81 SMN1; SMN2 (0.71) NPC1CYP1A2KDM4ESMN1; SMN2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114573490-B Diaryl-2H-aziridine compounds, preparation method and application thereof 复旦大学 2024-04-30 CN disclosed
EP-1326834-B1 2-SUBSTITUTED HETEROCYCLIC COMPOUNDS H LEE MOFFITT CANCER CT & RES (US) 2011-06-29 EP disclosed
US-6809093-B2 DRUG RESISTANCE THERAPY H. LEE MOFFITT CANCER & RESEARCH INSTITUTE, INC. 2004-10-26 US disclosed
EP-1326834-A2 2-SUBSTITUTED HETEROCYCLIC COMPOUNDS The Procter & Gamble Company (US) 2003-07-16 EP disclosed
US-20020119960-A1 Substituted piperidine amides and methods of their use H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. 2002-08-29 US disclosed
US-20020091120-A1 2-substituted heterocyclic compounds for treating multidrug resistance PROCTER & GAMBLE COMPANY, THE 2002-07-11 US disclosed
WO-2002032868-A2 2-SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR USE IN TREATING MULTIDRUG RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 2002-04-25 WO 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 (2 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-20020119960-A1 Substituted piperidine amides and methods of their use ABCC1, SLC11A2, ABCB1 LMNA 2336/4885NPC1 73/4885HTT 3504/4885
US-20020091120-A1 2-substituted heterocyclic compounds for treating multidrug resistance ABCC1, ABCB1, ABCB11 LMNA 3316/4885NPC1 35/4885HTT 3678/4885

“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.